Organoheterocyclic compounds
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2-(1-Pyrrolidinyl)nicotinic acid, 95%, Thermo Scientific™
CAS: 690632-36-1 Molecular Formula: C10H12N2O2 Molecular Weight (g/mol): 192.22 MDL Number: MFCD05865128 InChI Key: DTUSJCJZQJAPGD-UHFFFAOYSA-N Synonym: 2-1-pyrrolidinyl nicotinic acid,2-pyrrolidin-1-yl pyridine-3-carboxylic acid,2-pyrrolidin-1-ylnicotinic acid,2-pyrrolidin-1-yl nicotinic acid,2-pyrrolidinylpyridine-3-carboxylic acid,2-1-pyrrolidinyl nicotinicacid,3-pyridinecarboxylic acid, 2-1-pyrrolidinyl PubChem CID: 2794739 SMILES: OC(=O)C1=C(N=CC=C1)N1CCCC1
| PubChem CID | 2794739 |
|---|---|
| CAS | 690632-36-1 |
| Molecular Weight (g/mol) | 192.22 |
| MDL Number | MFCD05865128 |
| SMILES | OC(=O)C1=C(N=CC=C1)N1CCCC1 |
| Synonym | 2-1-pyrrolidinyl nicotinic acid,2-pyrrolidin-1-yl pyridine-3-carboxylic acid,2-pyrrolidin-1-ylnicotinic acid,2-pyrrolidin-1-yl nicotinic acid,2-pyrrolidinylpyridine-3-carboxylic acid,2-1-pyrrolidinyl nicotinicacid,3-pyridinecarboxylic acid, 2-1-pyrrolidinyl |
| InChI Key | DTUSJCJZQJAPGD-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O2 |
Methyl 5-methylnicotinate, 94%
CAS: 29681-45-6 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD01075739 InChI Key: KQILMMLAGGFMCM-UHFFFAOYSA-N PubChem CID: 256308 IUPAC Name: methyl 5-methylpyridine-3-carboxylate SMILES: CC1=CN=CC(=C1)C(=O)OC
| PubChem CID | 256308 |
|---|---|
| CAS | 29681-45-6 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD01075739 |
| SMILES | CC1=CN=CC(=C1)C(=O)OC |
| IUPAC Name | methyl 5-methylpyridine-3-carboxylate |
| InChI Key | KQILMMLAGGFMCM-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
4-pyridin-3-ylaniline, Thermo Scientific™
CAS: 82261-42-5 Molecular Formula: C11H10N2 Molecular Weight (g/mol): 170.215 InChI Key: DKFDPLVNPGJNDE-UHFFFAOYSA-N Synonym: 4-3-pyridyl aniline,4-pyridin-3-yl aniline,4-pyridin-3-yl-phenylamine,4-3-pyridinyl aniline,3-4-aminophenyl pyridine,benzenamine, 4-3-pyridinyl,2-pyridyl-4-aniline,4-pyridin-3-yl-phenylamine 2hcl salt,4-3-pyridyl phenylamine,3-p-aminophenyl pyridine PubChem CID: 459522 IUPAC Name: 4-pyridin-3-ylaniline SMILES: C1=CC(=CN=C1)C2=CC=C(C=C2)N
| PubChem CID | 459522 |
|---|---|
| CAS | 82261-42-5 |
| Molecular Weight (g/mol) | 170.215 |
| SMILES | C1=CC(=CN=C1)C2=CC=C(C=C2)N |
| Synonym | 4-3-pyridyl aniline,4-pyridin-3-yl aniline,4-pyridin-3-yl-phenylamine,4-3-pyridinyl aniline,3-4-aminophenyl pyridine,benzenamine, 4-3-pyridinyl,2-pyridyl-4-aniline,4-pyridin-3-yl-phenylamine 2hcl salt,4-3-pyridyl phenylamine,3-p-aminophenyl pyridine |
| IUPAC Name | 4-pyridin-3-ylaniline |
| InChI Key | DKFDPLVNPGJNDE-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2 |
1-Chloroisoquinoline, 95%
CAS: 19493-44-8 Molecular Formula: C9H6ClN Molecular Weight (g/mol): 163.604 MDL Number: MFCD00024134 InChI Key: MSQCQINLJMEVNJ-UHFFFAOYSA-N Synonym: 1-chloro-isoquinoline,isoquinoline, 1-chloro,chloroisoquinoline,isoquinoline, chloro,1-chloroisoquinone,1-chloro isoquinoline,zlchem 1129,pubchem13906,acmc-1bowu,1-chloroisoquinoline PubChem CID: 140539 IUPAC Name: 1-chloroisoquinoline SMILES: C1=CC=C2C(=C1)C=CN=C2Cl
| PubChem CID | 140539 |
|---|---|
| CAS | 19493-44-8 |
| Molecular Weight (g/mol) | 163.604 |
| MDL Number | MFCD00024134 |
| SMILES | C1=CC=C2C(=C1)C=CN=C2Cl |
| Synonym | 1-chloro-isoquinoline,isoquinoline, 1-chloro,chloroisoquinoline,isoquinoline, chloro,1-chloroisoquinone,1-chloro isoquinoline,zlchem 1129,pubchem13906,acmc-1bowu,1-chloroisoquinoline |
| IUPAC Name | 1-chloroisoquinoline |
| InChI Key | MSQCQINLJMEVNJ-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClN |
2-Hydroxy-5-methylpyridine, 98%
CAS: 1003-68-5 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD03092888 InChI Key: SOHMZGMHXUQHGE-UHFFFAOYSA-N Synonym: 2-hydroxy-5-methylpyridine,5-methylpyridin-2-ol,2-hydroxy-5-picoline,5-methyl-2-pyridinol,5-methylpyridin-2 1h-one,5-methyl-2-pyridone,5-methyl-2 1h-pyridinone,2 1h-pyridinone, 5-methyl,2-pyridinol, 5-methyl,6-hydroxy-3-picoline PubChem CID: 70482 IUPAC Name: 5-methyl-1H-pyridin-2-one SMILES: CC1=CNC(=O)C=C1
| PubChem CID | 70482 |
|---|---|
| CAS | 1003-68-5 |
| Molecular Weight (g/mol) | 109.128 |
| MDL Number | MFCD03092888 |
| SMILES | CC1=CNC(=O)C=C1 |
| Synonym | 2-hydroxy-5-methylpyridine,5-methylpyridin-2-ol,2-hydroxy-5-picoline,5-methyl-2-pyridinol,5-methylpyridin-2 1h-one,5-methyl-2-pyridone,5-methyl-2 1h-pyridinone,2 1h-pyridinone, 5-methyl,2-pyridinol, 5-methyl,6-hydroxy-3-picoline |
| IUPAC Name | 5-methyl-1H-pyridin-2-one |
| InChI Key | SOHMZGMHXUQHGE-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
3-Cyanopyridine, 98%
CAS: 100-54-9 Molecular Formula: C6H4N2 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00006372 InChI Key: GZPHSAQLYPIAIN-UHFFFAOYSA-N Synonym: 3-cyanopyridine,nicotinonitrile,3-pyridinecarbonitrile,nicotinic acid nitrile,3-pyridinenitrile,3-pyridylcarbonitrile,3-azabenzonitrile,3-cyjanopirydyna,nitryl kwasu nikotynowego,3-cyjanopirydyna polish PubChem CID: 79 ChEBI: CHEBI:86556 IUPAC Name: pyridine-3-carbonitrile SMILES: N#CC1=CC=CN=C1
| PubChem CID | 79 |
|---|---|
| CAS | 100-54-9 |
| Molecular Weight (g/mol) | 104.11 |
| ChEBI | CHEBI:86556 |
| MDL Number | MFCD00006372 |
| SMILES | N#CC1=CC=CN=C1 |
| Synonym | 3-cyanopyridine,nicotinonitrile,3-pyridinecarbonitrile,nicotinic acid nitrile,3-pyridinenitrile,3-pyridylcarbonitrile,3-azabenzonitrile,3-cyjanopirydyna,nitryl kwasu nikotynowego,3-cyjanopirydyna polish |
| IUPAC Name | pyridine-3-carbonitrile |
| InChI Key | GZPHSAQLYPIAIN-UHFFFAOYSA-N |
| Molecular Formula | C6H4N2 |
2-Nitropyridine-4-carboxylic acid, 95%, Thermo Scientific Chemicals
CAS: 33225-74-0 Molecular Formula: C6H4N2O4 Molecular Weight (g/mol): 168.108 MDL Number: MFCD04114160 InChI Key: SXERXZLYZFAKBX-UHFFFAOYSA-N Synonym: 2-nitropyridine-4-carboxylic acid,2-nitroisonicotinic acid,2-nitro-4-pyridinecarboxylic acid,2-nitro-4-pyridine carboxylic acid,2-nitro-isonicotinic acid,2-nitropyridine-4-carboxylicacid,4-pyridinecarboxylic acid, 2-nitro,2-nitroisonicotinicacid,ksc222a1b PubChem CID: 2762837 SMILES: C1=CN=C(C=C1C(=O)O)[N+](=O)[O-]
| PubChem CID | 2762837 |
|---|---|
| CAS | 33225-74-0 |
| Molecular Weight (g/mol) | 168.108 |
| MDL Number | MFCD04114160 |
| SMILES | C1=CN=C(C=C1C(=O)O)[N+](=O)[O-] |
| Synonym | 2-nitropyridine-4-carboxylic acid,2-nitroisonicotinic acid,2-nitro-4-pyridinecarboxylic acid,2-nitro-4-pyridine carboxylic acid,2-nitro-isonicotinic acid,2-nitropyridine-4-carboxylicacid,4-pyridinecarboxylic acid, 2-nitro,2-nitroisonicotinicacid,ksc222a1b |
| InChI Key | SXERXZLYZFAKBX-UHFFFAOYSA-N |
| Molecular Formula | C6H4N2O4 |
3-Amino-2-nitropyridine, 97%, Thermo Scientific Chemicals
CAS: 13269-19-7 Molecular Formula: C5H5N3O2 Molecular Weight (g/mol): 139.114 MDL Number: MFCD00044102 InChI Key: GZBKVUGZEAJYHH-UHFFFAOYSA-N Synonym: 3-amino-2-nitropyridine,2-nitro-3-pyridinamine,2-nitro-3-aminopyridine,3-pyridinamine, 2-nitro,2-nitropyridin-3-amin,aminonitropyridine,amino nitro pyridine,pubchem2087,acmc-209bps,2-nitro-3-pyridylamine PubChem CID: 83281 IUPAC Name: 2-nitropyridin-3-amine SMILES: C1=CC(=C(N=C1)[N+](=O)[O-])N
| PubChem CID | 83281 |
|---|---|
| CAS | 13269-19-7 |
| Molecular Weight (g/mol) | 139.114 |
| MDL Number | MFCD00044102 |
| SMILES | C1=CC(=C(N=C1)[N+](=O)[O-])N |
| Synonym | 3-amino-2-nitropyridine,2-nitro-3-pyridinamine,2-nitro-3-aminopyridine,3-pyridinamine, 2-nitro,2-nitropyridin-3-amin,aminonitropyridine,amino nitro pyridine,pubchem2087,acmc-209bps,2-nitro-3-pyridylamine |
| IUPAC Name | 2-nitropyridin-3-amine |
| InChI Key | GZBKVUGZEAJYHH-UHFFFAOYSA-N |
| Molecular Formula | C5H5N3O2 |
2-Amino-5-methylpyridine, 99%
CAS: 1603-41-4 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.144 MDL Number: MFCD00006328 InChI Key: CMBSSVKZOPZBKW-UHFFFAOYSA-N Synonym: 2-amino-5-methylpyridine,2-amino-5-picoline,6-amino-3-picoline,2-pyridinamine, 5-methyl,5-methylpyridin-2-ylamine,3-picoline, 6-amino,5-methyl-2-pyridinamine,5-methyl-2-pyridylamine,5-methyl-2-aminopyridine,2-amino-5-methyl pyridine PubChem CID: 15348 IUPAC Name: 5-methylpyridin-2-amine SMILES: CC1=CN=C(C=C1)N
| PubChem CID | 15348 |
|---|---|
| CAS | 1603-41-4 |
| Molecular Weight (g/mol) | 108.144 |
| MDL Number | MFCD00006328 |
| SMILES | CC1=CN=C(C=C1)N |
| Synonym | 2-amino-5-methylpyridine,2-amino-5-picoline,6-amino-3-picoline,2-pyridinamine, 5-methyl,5-methylpyridin-2-ylamine,3-picoline, 6-amino,5-methyl-2-pyridinamine,5-methyl-2-pyridylamine,5-methyl-2-aminopyridine,2-amino-5-methyl pyridine |
| IUPAC Name | 5-methylpyridin-2-amine |
| InChI Key | CMBSSVKZOPZBKW-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
4-tert-Butylpyridine
CAS: 3978-81-2 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 InChI Key: YSHMQTRICHYLGF-UHFFFAOYSA-N IUPAC Name: 4-tert-butylpyridine SMILES: CC(C)(C)C1=CC=NC=C1
| CAS | 3978-81-2 |
|---|---|
| Molecular Weight (g/mol) | 135.21 |
| SMILES | CC(C)(C)C1=CC=NC=C1 |
| IUPAC Name | 4-tert-butylpyridine |
| InChI Key | YSHMQTRICHYLGF-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
5-(4-Methylphenyl)thiazolo[2,3-c]-1,2,4-triazole-3-thiol, 96%
CAS: 500112-74-3 Molecular Formula: C11H9N3S2 Molecular Weight (g/mol): 247.334 MDL Number: MFCD06254379 InChI Key: LNDYWRMGFKFDTC-UHFFFAOYSA-N Synonym: 5-4-methylphenyl 1,3 thiazolo 2,3-c 1,2,4 triazole-3-thiol,5-4-methylphenyl-1,2,4 triazolo 3,4-b 1,3 thiazole-3-thiol,5-p-tolyl thiazolo 2,3-c 1,2,4 triazole-3-thiol,5-4-methylphenyl-2h-1,3 thiazolo 2,3-c 1,2,4 triazole-3-thione,5-4-methylphenyl-2h-1,2,4 triazolo 3,4-b 1,3 thiazole-3-thione,5-4-methylphenyl thiazolo 2,3-c-1,2,4-triazole-3-thiol,5-p-tolyl-2h-thiazolo 2,3-c 1,2,4 triazole-3-thione,5-4-methylphenyl-2h-thiazolo 2,3-c 1,2,4 triazole-3-thione,5-4-methylphenyl-2h-1,3-thiazolino 2,3-c 1,2,4-triazoline-3-thione,5-4-methylphenyl 1,3 thiazolo 2,3-c 1,2,4 triazole-3 2h-thione PubChem CID: 2383729 IUPAC Name: 5-(4-methylphenyl)-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione SMILES: CC1=CC=C(C=C1)C2=CSC3=NNC(=S)N23
| PubChem CID | 2383729 |
|---|---|
| CAS | 500112-74-3 |
| Molecular Weight (g/mol) | 247.334 |
| MDL Number | MFCD06254379 |
| SMILES | CC1=CC=C(C=C1)C2=CSC3=NNC(=S)N23 |
| Synonym | 5-4-methylphenyl 1,3 thiazolo 2,3-c 1,2,4 triazole-3-thiol,5-4-methylphenyl-1,2,4 triazolo 3,4-b 1,3 thiazole-3-thiol,5-p-tolyl thiazolo 2,3-c 1,2,4 triazole-3-thiol,5-4-methylphenyl-2h-1,3 thiazolo 2,3-c 1,2,4 triazole-3-thione,5-4-methylphenyl-2h-1,2,4 triazolo 3,4-b 1,3 thiazole-3-thione,5-4-methylphenyl thiazolo 2,3-c-1,2,4-triazole-3-thiol,5-p-tolyl-2h-thiazolo 2,3-c 1,2,4 triazole-3-thione,5-4-methylphenyl-2h-thiazolo 2,3-c 1,2,4 triazole-3-thione,5-4-methylphenyl-2h-1,3-thiazolino 2,3-c 1,2,4-triazoline-3-thione,5-4-methylphenyl 1,3 thiazolo 2,3-c 1,2,4 triazole-3 2h-thione |
| IUPAC Name | 5-(4-methylphenyl)-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione |
| InChI Key | LNDYWRMGFKFDTC-UHFFFAOYSA-N |
| Molecular Formula | C11H9N3S2 |
Alpha Lipoic Acid Dietary Supplement, USP, 99-101%, Spectrum™ Chemical
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CAS: 1077-28-7 Molecular Formula: C8H14O2S2 Molecular Weight (g/mol): 206.32 MDL Number: MFCD00005474 InChI Key: AGBQKNBQESQNJD-UHFFFAOYNA-N IUPAC Name: 5-(1,2-dithiolan-3-yl)pentanoic acid SMILES: OC(=O)CCCCC1CCSS1
| CAS | 1077-28-7 |
|---|---|
| Molecular Weight (g/mol) | 206.32 |
| MDL Number | MFCD00005474 |
| SMILES | OC(=O)CCCCC1CCSS1 |
| IUPAC Name | 5-(1,2-dithiolan-3-yl)pentanoic acid |
| InChI Key | AGBQKNBQESQNJD-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2S2 |
5-Hydroxyisophthalic acid, 99%
CAS: 618-83-7 Molecular Formula: C8H6O5 Molecular Weight (g/mol): 182.13 MDL Number: MFCD00002515 InChI Key: QNVNLUSHGRBCLO-UHFFFAOYSA-N Synonym: 5-hydroxyisophthalic acid,5-oxyisophthalic acid,isophthalic acid, 5-hydroxy,1,3-benzenedicarboxylic acid, 5-hydroxy,5-hydoxyisophthalic acid,5-hydroxy-isophthalic acid,5-hydroxy-1,3-benzenedicarboxylic acid,5-hydroxyisosphthalic acid,isophthalic acid, 5-hydroxy-6ci,7ci,8ci,5-hydroxyisophthalicacid PubChem CID: 69257 IUPAC Name: 5-hydroxybenzene-1,3-dicarboxylic acid SMILES: C1=C(C=C(C=C1C(=O)O)O)C(=O)O
| PubChem CID | 69257 |
|---|---|
| CAS | 618-83-7 |
| Molecular Weight (g/mol) | 182.13 |
| MDL Number | MFCD00002515 |
| SMILES | C1=C(C=C(C=C1C(=O)O)O)C(=O)O |
| Synonym | 5-hydroxyisophthalic acid,5-oxyisophthalic acid,isophthalic acid, 5-hydroxy,1,3-benzenedicarboxylic acid, 5-hydroxy,5-hydoxyisophthalic acid,5-hydroxy-isophthalic acid,5-hydroxy-1,3-benzenedicarboxylic acid,5-hydroxyisosphthalic acid,isophthalic acid, 5-hydroxy-6ci,7ci,8ci,5-hydroxyisophthalicacid |
| IUPAC Name | 5-hydroxybenzene-1,3-dicarboxylic acid |
| InChI Key | QNVNLUSHGRBCLO-UHFFFAOYSA-N |
| Molecular Formula | C8H6O5 |
5-Carboxyfluorescein, single isomer, 97%
CAS: 76823-03-5 Molecular Formula: C21H12O7 Molecular Weight (g/mol): 376.32 MDL Number: MFCD00036874 InChI Key: NJYVEMPWNAYQQN-UHFFFAOYSA-N Synonym: 5-carboxyfluorescein,5-fam,4-carboxyfluorescein,4 5-carboxyfluorescein,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-5-carboxylic acid,3',6'-dihydroxy-3-oxo-3h-spiro 2-benzofuran-1,9'-xanthene-5-carboxylic acid,3',6'-dihydroxy-3-oxospiro 2-benzofuran-1,9'-xanthene-5-carboxylic acid,spiro isobenzofuran-1 3h ,9'-9h xanthene-5-carboxylic acid, 3',6-dihydroxy-3-oxo,bidd:gt0758,5-carboxy fluorescein; 5-fam PubChem CID: 123755 ChEBI: CHEBI:51617 IUPAC Name: 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid SMILES: OC(=O)C1=CC=C2C(=C1)C(=O)OC21C2=CC=C(O)C=C2OC2=CC(O)=CC=C12
| PubChem CID | 123755 |
|---|---|
| CAS | 76823-03-5 |
| Molecular Weight (g/mol) | 376.32 |
| ChEBI | CHEBI:51617 |
| MDL Number | MFCD00036874 |
| SMILES | OC(=O)C1=CC=C2C(=C1)C(=O)OC21C2=CC=C(O)C=C2OC2=CC(O)=CC=C12 |
| Synonym | 5-carboxyfluorescein,5-fam,4-carboxyfluorescein,4 5-carboxyfluorescein,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-5-carboxylic acid,3',6'-dihydroxy-3-oxo-3h-spiro 2-benzofuran-1,9'-xanthene-5-carboxylic acid,3',6'-dihydroxy-3-oxospiro 2-benzofuran-1,9'-xanthene-5-carboxylic acid,spiro isobenzofuran-1 3h ,9'-9h xanthene-5-carboxylic acid, 3',6-dihydroxy-3-oxo,bidd:gt0758,5-carboxy fluorescein; 5-fam |
| IUPAC Name | 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid |
| InChI Key | NJYVEMPWNAYQQN-UHFFFAOYSA-N |
| Molecular Formula | C21H12O7 |
DL-Thioctic acid, 98%
CAS: 1077-28-7 Molecular Formula: C8H14O2S2 Molecular Weight (g/mol): 206.32 MDL Number: MFCD00005474 InChI Key: AGBQKNBQESQNJD-UHFFFAOYNA-N Synonym: dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid PubChem CID: 864 ChEBI: CHEBI:16494 IUPAC Name: 5-(1,2-dithiolan-3-yl)pentanoic acid SMILES: OC(=O)CCCCC1CCSS1
| PubChem CID | 864 |
|---|---|
| CAS | 1077-28-7 |
| Molecular Weight (g/mol) | 206.32 |
| ChEBI | CHEBI:16494 |
| MDL Number | MFCD00005474 |
| SMILES | OC(=O)CCCCC1CCSS1 |
| Synonym | dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid |
| IUPAC Name | 5-(1,2-dithiolan-3-yl)pentanoic acid |
| InChI Key | AGBQKNBQESQNJD-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2S2 |