Organoheterocyclic compounds

5-Bromo-1-methyl-1H-indole, 97%, Thermo Scientific™

CAS: 10075-52-2 Molecular Formula: C9H8BrN Molecular Weight (g/mol): 210.07 MDL Number: MFCD00159857 InChI Key: SBOITLSQLQGSLO-UHFFFAOYSA-N PubChem CID: 285757 IUPAC Name: 5-bromo-1-methylindole SMILES: CN1C=CC2=CC(Br)=CC=C12

3-Pyridin-3-ylaniline, 97%, Thermo Scientific™

CAS: 57976-57-5 Molecular Formula: C11H10N2 Molecular Weight (g/mol): 170.215 InChI Key: YTJQJGKMRLQBJP-UHFFFAOYSA-N Synonym: 3-pyridin-3-yl benzenamine,3-pyridin-3-yl aniline,3-3-aminophenyl pyridine,3-3-pyridyl aniline,benzenamine, 3-3-pyridinyl,3-3-pyridinyl aniline,3-pyridin-3-yl anilin,3-3-pyridyl phenylamine,3-pyridine-3-yl aniline,3-pyridin-3-yl-phenylamine PubChem CID: 459521 IUPAC Name: 3-pyridin-3-ylaniline SMILES: C1=CC(=CC(=C1)N)C2=CN=CC=C2

2,1,3-Benzothiadiazole-4-sulfonyl chloride, 97%, Thermo Scientific™

CAS: 73713-79-8 Molecular Formula: C6H3ClN2O2S2 Molecular Weight (g/mol): 234.67 MDL Number: MFCD00068049 InChI Key: CXAICGCTHOWKPP-UHFFFAOYSA-N Synonym: benzo c 1,2,5 thiadiazole-4-sulfonyl chloride,benzo 2,1,3 thiadiazole-4-sulfonyl chloride,2,1,3-benzothiadiazole-4-sulphonyl chloride,2,1,3-benzothiadiazol-4-sulfonyl chloride,4-chlorosulfonyl-2,1,3-benzothiadiazole,2,1,3-benzothiadiazole, 4-chlorosulfonyl,2,1,3-benzothiadiazole-4-sulfonylchloride,benzo-2,1,3-thiadiazole-4-sulfonyl chloride,2??,1,3-benzothiadiazole-4-sulfonyl chloride,benzo-2,1,3-thiadiazole-4-sulphonyl chloride PubChem CID: 2735459 IUPAC Name: 2,1,3-benzothiadiazole-4-sulfonyl chloride SMILES: ClS(=O)(=O)C1=CC=CC2=NSN=C12

4-chloro-5-(2-thienyl)thieno[2,3-d]pyrimidine, 97%, Thermo Scientific™

CAS: 189681-04-7 Molecular Formula: C10H5ClN2S2 Molecular Weight (g/mol): 252.73 MDL Number: MFCD00174019 InChI Key: VNWBUFWVNCUUKY-UHFFFAOYSA-N Synonym: 4-chloro-5-2-thienyl thieno 2,3-d pyrimidine,4-chloro-5-thiophen-2-yl thieno 2,3-d pyrimidine,thieno 2,3-d pyrimidine,4-chloro-5-2-thienyl,4-chloro-5-2-thienyl thiopheno 2,3-d pyrimidine,4-chloro-5-thiophen-2-ylthieno 2,3-d pyrimidine PubChem CID: 735732 SMILES: ClC1=C2C(SC=C2C2=CC=CS2)=NC=N1

Ethyl isoquinoline-3-carboxylate, 97%, Thermo Scientific™

CAS: 50458-79-2 Molecular Formula: C12H11NO2 Molecular Weight (g/mol): 201.225 MDL Number: MFCD10566077 InChI Key: IFSCYCNNAIADLI-UHFFFAOYSA-N Synonym: ethyl 3-isoquinolinecarboxylate,ethylisoquinoline-3-carboxylate,ethyl isoquinolin-3-carboxylate,3-isoquinolinecarboxylic acid, ethyl ester,isoquinoline-3-carboxylic acid ethyl ester,3-carbethoxyisoquinoline,ksc493m9t,3-ethoxycarbonyl isoquinoline,3-isoquinolinecarboxylic acid ethyl ester PubChem CID: 11435602 IUPAC Name: ethyl isoquinoline-3-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2C=N1

2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-ethanone, 97%, Thermo Scientific™

CAS: 19815-97-5 Molecular Formula: C10H9BrO3 Molecular Weight (g/mol): 257.08 MDL Number: MFCD04972617 InChI Key: BSROYFIAEPSLCT-UHFFFAOYSA-N Synonym: 2-bromo-1-2,3-dihydrobenzo b 1,4 dioxin-5-yl ethanone,2-bromo-1-2,3-dihydro-1,4-benzodioxin-5-yl-1-ethanone,2-bromo-1-2,3-dihydro-1,4-benzodioxin-5-yl ethanone,5-bromoacetyl-1,4-benzodioxane,2-bromo-1-2,3-dihydro-1,4-benzodioxin-5-yl ethan-1-one,5-bromoacetyl-2,3-dihydro-1,4-benzodioxine,2-bromanyl-1-2,3-dihydro-1,4-benzodioxin-5-yl ethanone,1-2h,3h-benzo 2,3-e 1,4-dioxin-5-yl-2-bromoethan-1-one,ethanone, 2-bromo-1-2,3-dihydro-1,4-benzodioxin-5-yl PubChem CID: 2795035 IUPAC Name: 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone SMILES: BrCC(=O)C1=C2OCCOC2=CC=C1

8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxine, 97%, Thermo Scientific™

CAS: 131728-94-4 Molecular Formula: C9H8ClFO2 Molecular Weight (g/mol): 202.61 MDL Number: MFCD00052603 InChI Key: FMONGDHUPLQOCP-UHFFFAOYSA-N Synonym: 8-chloromethyl-6-fluoro-4h-1,3-benzodioxine,8-chloromethyl-6-fluoro-4h-benzo d 1,3 dioxine,4h-1,3-benzodioxin,8-chloromethyl-6-fluoro,8-chloromethyl-6-fluoro-2,4-dihydro-1,3-benzodioxine,8-chloromethyl-6-fluorobenzo-1,3-dioxane,acmc-1c5x1,8-chloromethyl-6-fluoro-4h-benzo 1,3 dioxine,8-chloromethyl-6-fluoro-2h,4h-1,3-benzodioxine,8-chloromethyl-6-fluoro-2h,4h-benzo e 1,3-dioxin PubChem CID: 2780137 IUPAC Name: 8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxine SMILES: FC1=CC(CCl)=C2OCOCC2=C1

2-Methyl-1,3-thiazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 35272-15-2 Molecular Formula: C5H5NO2S Molecular Weight (g/mol): 143.16 MDL Number: MFCD03407332 InChI Key: ZHDRDZMTEOIWSX-UHFFFAOYSA-N Synonym: 2-methylthiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylic acid,4-thiazolecarboxylic acid, 2-methyl,2-methyl-thiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylicacid,2-methyl-thiazole4-carboxylic acid,4-thiazolecarboxylicacid, 2-methyl,2-methyl-1,3-thiazole-4-carboxylicacid PubChem CID: 284728 IUPAC Name: 2-methyl-1,3-thiazole-4-carboxylic acid SMILES: CC1=NC(=CS1)C(=O)O

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride, Thermo Scientific™

CAS: 4462-55-9 Molecular Formula: C11H6Cl3NO2 Molecular Weight (g/mol): 290.524 InChI Key: IZQGELJKDARDMZ-UHFFFAOYSA-N Synonym: 3-2,6-dichlorophenyl-5-methylisoxazole-4-carbonyl chloride,dcimc chloride,3-2,6-dichlorophenyl-5-methyl-1,2-oxazole-4-carbonyl chloride,3-2,6-dichlorophenyl-5-methylisoxazole-4-carbonylchloride,4-isoxazolecarbonyl chloride, 3-2,6-dichlorophenyl-5-methyl,3-2,6-dichlorophenyl-5-methylisoxazole-4-carboxylic acid chloride,3-2,6-dichlorophenyl-5-methyl isoxazole-4-carbonyl chloride,pubchem8683,dsstox_cid_31536,dsstox_rid_97421 PubChem CID: 78212 IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)Cl

Ethyl 5-(chloromethyl)-3-isoxazolecarboxylate, 97%, Thermo Scientific™

CAS: 3209-40-3 Molecular Formula: C7H8ClNO3 Molecular Weight (g/mol): 189.60 MDL Number: MFCD08445409 InChI Key: RNURPQMTRDHCNM-UHFFFAOYSA-N Synonym: ethyl 5-chloromethyl isoxazole-3-carboxylate,ethyl 5-chloromethyl-3-isoxazolecarboxylate,ethyl 5-chloromethyl-1,2-oxazole-3-carboxylate,ethyl 5-chloromethylisoxazole-3-carboxylate,5-chloromethyl-isoxazole-3-carboxylic acid ethyl ester,ehyl 5-chloromethyl-1,2-oxazole-3-carboxylate,3-isoxazolecarboxylicacid, 5-chloromethyl-, ethyl ester PubChem CID: 14674306 IUPAC Name: ethyl 5-(chloromethyl)-1,2-oxazole-3-carboxylate SMILES: CCOC(=O)C1=NOC(CCl)=C1

4-(piperidinomethyl)benzoic acid, 97%, Thermo Scientific™

CAS: 159691-33-5 Molecular Formula: C13H17NO2 Molecular Weight (g/mol): 219.284 InChI Key: RNCCMTVMMFUIKR-UHFFFAOYSA-N Synonym: 4-piperidin-1-ylmethyl benzoic acid,4-piperidin-1-ylmethyl-benzoic acid,benzoic acid,4-1-piperidinylmethyl,4-piperidylmethyl benzoic acid,4-piperidinomethyl benzoic acid,4-piperidin-1-yl methyl benzoic acid PubChem CID: 1092975 IUPAC Name: 4-(piperidin-1-ylmethyl)benzoic acid SMILES: C1CCN(CC1)CC2=CC=C(C=C2)C(=O)O

Benzyl 4-hydroxytetrahydro-1(2H)-pyridinecarboxylate, ≥97%, Thermo Scientific™

CAS: 95798-23-5 Molecular Formula: C13H17NO3 Molecular Weight (g/mol): 235.28 MDL Number: MFCD01863722 InChI Key: JKIUUDJOCYHIGY-UHFFFAOYSA-N Synonym: benzyl 4-hydroxy-1-piperidinecarboxylate,1-cbz-4-hydroxypiperidine,n-cbz-4-hydroxy-1-piperidine,benzyl 4-hydroxytetrahydro-1 2h-pyridinecarboxylate,n-benzyloxycarbonyl-4-hydroxypiperidine,1-piperidinecarboxylic acid, 4-hydroxy-, phenylmethyl ester,n-cbz-4-hydroxypiperidine,n-benzyloxycarbonyl piperidin-4-ol,4-hydroxypiperidine, n-cbz protected,4-hydroxy-piperidine-1-carboxylic acid benzyl ester PubChem CID: 2794620 IUPAC Name: benzyl 4-hydroxypiperidine-1-carboxylate SMILES: OC1CCN(CC1)C(=O)OCC1=CC=CC=C1

6-Formyl-2-(methylsulfanyl)nicotinonitrile, 97%, Thermo Scientific™

CAS: 175277-27-7 Molecular Formula: C8H6N2OS Molecular Weight (g/mol): 178.21 MDL Number: MFCD00173824 InChI Key: UBGVOMZGBKLUOU-UHFFFAOYSA-N Synonym: 6-formyl-2-methylsulfanyl nicotinonitrile,3-cyano-2-methylthio pyridine-6-carboxaldehyde,6-formyl-2-methylsulfanyl pyridine-3-carbonitrile,6-formyl-2-methylthio nicotinonitrile,6-formyl-2-methylthio pyridine-3-carbonitrile,6-formyl-2-methylthio-3-pyridinecarbonitrile,3-pyridinecarbonitrile,6-formyl-2-methylthio,6-formyl-2-methylsulphanyl nicotinonitrile,6-formyl-2-methylthiopyridine-3-carbonitrile,6-formyl-2-methylsulfanyl-pyridine-3-carbonitrile PubChem CID: 2799504 IUPAC Name: 6-formyl-2-methylsulfanylpyridine-3-carbonitrile SMILES: CSC1=C(C=CC(C=O)=N1)C#N

2,2-Bithiophene-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 2060-55-1 Molecular Formula: C9H6O2S2 Molecular Weight (g/mol): 210.265 InChI Key: PTNWHEHDBNNKEO-UHFFFAOYSA-N Synonym: 2,2'-bithiophene-5-carboxylic acid,5-thiophen-2-yl thiophene-2-carboxylic acid,2,2-bithiophene-5-carboxylic acid,2,2'-bithiophene-5-carboxylicacid,2,2' bithiophenyl-5-carboxylic acid,2,2'-bithiophene-5-ca,5-carboxy-2,2'-bithiophene,2,2'-bithienyl-5'-carboxylic,5-2-thienyl-2-thiophenecarboxylic acid PubChem CID: 150965 IUPAC Name: 5-thiophen-2-ylthiophene-2-carboxylic acid SMILES: C1=CSC(=C1)C2=CC=C(S2)C(=O)O

3-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile, ≥97%, Thermo Scientific™