Organoheterocyclic compounds
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3-(1H-1,2,4-triazol-1-ylmethyl)benzoic acid, ≥97%, Thermo Scientific™
CAS: 857284-23-2 Molecular Formula: C10H9N3O2 Molecular Weight (g/mol): 203.20 MDL Number: MFCD07186456 InChI Key: XIJPFLBFQZEFKY-UHFFFAOYSA-N Synonym: 3-1h-1,2,4-triazol-1-ylmethyl benzoic acid,3-1,2,4 triazol-1-ylmethyl-benzoic acid,3-1,2,4-triazol-1-ylmethyl benzoic acid,benzoic acid,3-1h-1,2,4-triazol-1-ylmethyl,3-1,2,4-triazolylmethyl benzoic acid,3-1h-1,2,4-triazol-1-yl methyl benzoic acid,benzoic acid, 3-1h-1,2,4-triazol-1-ylmethyl PubChem CID: 3159713 IUPAC Name: 3-(1,2,4-triazol-1-ylmethyl)benzoic acid SMILES: OC(=O)C1=CC(CN2C=NC=N2)=CC=C1
| PubChem CID | 3159713 |
|---|---|
| CAS | 857284-23-2 |
| Molecular Weight (g/mol) | 203.20 |
| MDL Number | MFCD07186456 |
| SMILES | OC(=O)C1=CC(CN2C=NC=N2)=CC=C1 |
| Synonym | 3-1h-1,2,4-triazol-1-ylmethyl benzoic acid,3-1,2,4 triazol-1-ylmethyl-benzoic acid,3-1,2,4-triazol-1-ylmethyl benzoic acid,benzoic acid,3-1h-1,2,4-triazol-1-ylmethyl,3-1,2,4-triazolylmethyl benzoic acid,3-1h-1,2,4-triazol-1-yl methyl benzoic acid,benzoic acid, 3-1h-1,2,4-triazol-1-ylmethyl |
| IUPAC Name | 3-(1,2,4-triazol-1-ylmethyl)benzoic acid |
| InChI Key | XIJPFLBFQZEFKY-UHFFFAOYSA-N |
| Molecular Formula | C10H9N3O2 |
Thiophene-3-acetic acid hydrazide, 97%
CAS: 175276-94-5 Molecular Formula: C6H8N2OS Molecular Weight (g/mol): 156.20 MDL Number: MFCD00052946 InChI Key: YNMRDHMMFCGQBD-UHFFFAOYSA-N Synonym: 2-thiophen-3-yl acetohydrazide,thiophene-3-acetic acid hydrazide,2-3-thienyl acetohydrazide,2-thien-3-yl acetohydrazide,3-thiopheneacetic acid,hydrazide,3 thienyl-acetic acid hydrazide,2-thien-3-ylacetohydrazide,acmc-20ajii,maybridge1_008350,3-thienyl acetohydrazide PubChem CID: 468649 IUPAC Name: 2-thiophen-3-ylacetohydrazide SMILES: NNC(=O)CC1=CSC=C1
| PubChem CID | 468649 |
|---|---|
| CAS | 175276-94-5 |
| Molecular Weight (g/mol) | 156.20 |
| MDL Number | MFCD00052946 |
| SMILES | NNC(=O)CC1=CSC=C1 |
| Synonym | 2-thiophen-3-yl acetohydrazide,thiophene-3-acetic acid hydrazide,2-3-thienyl acetohydrazide,2-thien-3-yl acetohydrazide,3-thiopheneacetic acid,hydrazide,3 thienyl-acetic acid hydrazide,2-thien-3-ylacetohydrazide,acmc-20ajii,maybridge1_008350,3-thienyl acetohydrazide |
| IUPAC Name | 2-thiophen-3-ylacetohydrazide |
| InChI Key | YNMRDHMMFCGQBD-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2OS |
3-Methylflavone-8-Carboxylic Acid, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™
This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.
10,11-Dihydrocarbamazepine, 99%
CAS: 3564-73-6 Molecular Formula: C15H14N2O Molecular Weight (g/mol): 238.29 MDL Number: MFCD00005072 InChI Key: PHNLCHMJDSSPDQ-UHFFFAOYSA-N Synonym: 10,11-dihydrocarbamazepine,10,11-dihydro-5h-dibenzo b,f azepine-5-carboxamide,unii-ec017va9fr,dihydrocarbamazepine,ec017va9fr,5h-dibenz b,f azepine-5-carboxamide, 10,11-dihydro,chembl41543,5,6-dihydrobenzo b 1 benzazepine-11-carboxamide,10,11-dihydro-5h-dibenz b,f azepine-5-carboxamide PubChem CID: 19099 IUPAC Name: 2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide SMILES: NC(=O)N1C2=CC=CC=C2CCC2=CC=CC=C12
| PubChem CID | 19099 |
|---|---|
| CAS | 3564-73-6 |
| Molecular Weight (g/mol) | 238.29 |
| MDL Number | MFCD00005072 |
| SMILES | NC(=O)N1C2=CC=CC=C2CCC2=CC=CC=C12 |
| Synonym | 10,11-dihydrocarbamazepine,10,11-dihydro-5h-dibenzo b,f azepine-5-carboxamide,unii-ec017va9fr,dihydrocarbamazepine,ec017va9fr,5h-dibenz b,f azepine-5-carboxamide, 10,11-dihydro,chembl41543,5,6-dihydrobenzo b 1 benzazepine-11-carboxamide,10,11-dihydro-5h-dibenz b,f azepine-5-carboxamide |
| IUPAC Name | 2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide |
| InChI Key | PHNLCHMJDSSPDQ-UHFFFAOYSA-N |
| Molecular Formula | C15H14N2O |
Methyl 6-chloropyrazine-2-carboxylate, 95%
CAS: 23611-75-8 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 MDL Number: MFCD10686598 InChI Key: MVVYUJFEXRODQA-UHFFFAOYSA-N Synonym: methyl 6-chloro-2-pyrazinecarboxylate,2-chloro-6-pyrazinecarboxylic acid methyl ester,2-pyrazinecarboxylic acid, 6-chloro-, methyl ester,2-chloro-6-co2me-pyrazine,6-chloro-pyrazine-2-carboxylic acid methyl ester,pyrazinecarboxylic acid, 6-chloro-, methyl ester,pubchem16685,6-chloro-pyrazine-2-carboxylicacidmethylester,ksc494k2p,methyl-6-chloropyrazine-2-carboxylate PubChem CID: 11084353 IUPAC Name: methyl 6-chloropyrazine-2-carboxylate SMILES: COC(=O)C1=CN=CC(=N1)Cl
| PubChem CID | 11084353 |
|---|---|
| CAS | 23611-75-8 |
| Molecular Weight (g/mol) | 172.568 |
| MDL Number | MFCD10686598 |
| SMILES | COC(=O)C1=CN=CC(=N1)Cl |
| Synonym | methyl 6-chloro-2-pyrazinecarboxylate,2-chloro-6-pyrazinecarboxylic acid methyl ester,2-pyrazinecarboxylic acid, 6-chloro-, methyl ester,2-chloro-6-co2me-pyrazine,6-chloro-pyrazine-2-carboxylic acid methyl ester,pyrazinecarboxylic acid, 6-chloro-, methyl ester,pubchem16685,6-chloro-pyrazine-2-carboxylicacidmethylester,ksc494k2p,methyl-6-chloropyrazine-2-carboxylate |
| IUPAC Name | methyl 6-chloropyrazine-2-carboxylate |
| InChI Key | MVVYUJFEXRODQA-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClN2O2 |
4-chloro-1,2-dihydrophthalazin-1-one, 97%, Thermo Scientific™
CAS: 2257-69-4 Molecular Formula: C8H5ClN2O Molecular Weight (g/mol): 180.59 MDL Number: MFCD00102192 InChI Key: QCKGMJDOJRNSMS-UHFFFAOYSA-N Synonym: 4-chlorophthalazin-1 2h-one,4-chloro-1,2-dihydrophthalazin-1-one,4-chlorophthalazin-1-ol,1 2h-phthalazinone, 4-chloro,4-chloro-1 2h-phthalazinone,4-chlorophthalazone,4-chloro-1-phthalazinol,4-chlorophthalazin-1-one,1-chlorophthalazin-4-one,1-chlorophthalazine-4-one PubChem CID: 2775142 IUPAC Name: 4-chloro-2H-phthalazin-1-one SMILES: ClC1=NNC(=O)C2=CC=CC=C12
| PubChem CID | 2775142 |
|---|---|
| CAS | 2257-69-4 |
| Molecular Weight (g/mol) | 180.59 |
| MDL Number | MFCD00102192 |
| SMILES | ClC1=NNC(=O)C2=CC=CC=C12 |
| Synonym | 4-chlorophthalazin-1 2h-one,4-chloro-1,2-dihydrophthalazin-1-one,4-chlorophthalazin-1-ol,1 2h-phthalazinone, 4-chloro,4-chloro-1 2h-phthalazinone,4-chlorophthalazone,4-chloro-1-phthalazinol,4-chlorophthalazin-1-one,1-chlorophthalazin-4-one,1-chlorophthalazine-4-one |
| IUPAC Name | 4-chloro-2H-phthalazin-1-one |
| InChI Key | QCKGMJDOJRNSMS-UHFFFAOYSA-N |
| Molecular Formula | C8H5ClN2O |
Isoquinoline-1-carbonitrile, 99%
CAS: 1198-30-7 Molecular Formula: C10H6N2 Molecular Weight (g/mol): 154.172 MDL Number: MFCD00134166 InChI Key: HJHXYSBRTVFEDD-UHFFFAOYSA-N Synonym: 1-cyanoisoquinoline,1-isoquinolinecarbonitrile,isoquinaldonitrile,isoquinolinecarbonitrile,1-cyano-isoquinoline,isoquinaldinic nitrile,pubchem6269,maybridge1_002114,timtec-bb sbb002487 PubChem CID: 306057 IUPAC Name: isoquinoline-1-carbonitrile SMILES: C1=CC=C2C(=C1)C=CN=C2C#N
| PubChem CID | 306057 |
|---|---|
| CAS | 1198-30-7 |
| Molecular Weight (g/mol) | 154.172 |
| MDL Number | MFCD00134166 |
| SMILES | C1=CC=C2C(=C1)C=CN=C2C#N |
| Synonym | 1-cyanoisoquinoline,1-isoquinolinecarbonitrile,isoquinaldonitrile,isoquinolinecarbonitrile,1-cyano-isoquinoline,isoquinaldinic nitrile,pubchem6269,maybridge1_002114,timtec-bb sbb002487 |
| IUPAC Name | isoquinoline-1-carbonitrile |
| InChI Key | HJHXYSBRTVFEDD-UHFFFAOYSA-N |
| Molecular Formula | C10H6N2 |
4-Methoxy-3-pyrrolin-2-one, 99%
CAS: 69778-83-2 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD00071564 InChI Key: TXKQBYYDTLOLHA-UHFFFAOYSA-N Synonym: 4-methoxy-3-pyrrolin-2-one,4-methoxy-1h-pyrrol-2 5h-one,4-methoxy-1,5-dihydro-2h-pyrrol-2-one,4-methoxy-1,5-dihydropyrrol-2-one,2h-pyrrol-2-one, 1,5-dihydro-4-methoxy,4-methoxy-2,5-dihydro-1h-pyrrol-2-one,4-methoxy-1,5-dihydropyrro-2-one,1,5-dihydro-4-methoxy-2h-pyrrol-2-on,4-methoxy-3-pyrroline-2-one PubChem CID: 574769 IUPAC Name: 3-methoxy-1,2-dihydropyrrol-5-one SMILES: COC1=CC(=O)NC1
| PubChem CID | 574769 |
|---|---|
| CAS | 69778-83-2 |
| Molecular Weight (g/mol) | 113.116 |
| MDL Number | MFCD00071564 |
| SMILES | COC1=CC(=O)NC1 |
| Synonym | 4-methoxy-3-pyrrolin-2-one,4-methoxy-1h-pyrrol-2 5h-one,4-methoxy-1,5-dihydro-2h-pyrrol-2-one,4-methoxy-1,5-dihydropyrrol-2-one,2h-pyrrol-2-one, 1,5-dihydro-4-methoxy,4-methoxy-2,5-dihydro-1h-pyrrol-2-one,4-methoxy-1,5-dihydropyrro-2-one,1,5-dihydro-4-methoxy-2h-pyrrol-2-on,4-methoxy-3-pyrroline-2-one |
| IUPAC Name | 3-methoxy-1,2-dihydropyrrol-5-one |
| InChI Key | TXKQBYYDTLOLHA-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO2 |
2,4-Dimethyl-3-furoic acid, 97%, Thermo Scientific™
CAS: 15058-72-7 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.138 InChI Key: JFXXYKVSLHRBAA-UHFFFAOYSA-N Synonym: 2,4-dimethyl-3-furoic acid,2,4-dimethyl-3-furancarboxylic acid,3-furancarboxylic acid, 2,4-dimethyl,2,4-dimethyl-furan-3-carboxylic acid,2,4-dimethylfurane-3-carboxylic acid PubChem CID: 638456 IUPAC Name: 2,4-dimethylfuran-3-carboxylic acid SMILES: CC1=COC(=C1C(=O)O)C
| PubChem CID | 638456 |
|---|---|
| CAS | 15058-72-7 |
| Molecular Weight (g/mol) | 140.138 |
| SMILES | CC1=COC(=C1C(=O)O)C |
| Synonym | 2,4-dimethyl-3-furoic acid,2,4-dimethyl-3-furancarboxylic acid,3-furancarboxylic acid, 2,4-dimethyl,2,4-dimethyl-furan-3-carboxylic acid,2,4-dimethylfurane-3-carboxylic acid |
| IUPAC Name | 2,4-dimethylfuran-3-carboxylic acid |
| InChI Key | JFXXYKVSLHRBAA-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3 |
pyrimidine-5-boronic acid, 97%, Thermo Scientific™
CAS: 321724-19-0 Molecular Formula: C10H15BN2O2 Molecular Weight (g/mol): 206.05 MDL Number: MFCD05155223 InChI Key: WSRGGSAGSUEJKQ-UHFFFAOYSA-N Synonym: 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,pyrimidine-5-boronic acid pinacol ester,pinacol ester pyrimidinyl-5-boronic acid,5-pyrimidineboronic acid pinacol ester,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,pyrimidyl-5-boronic acid pinacolate,pyrimidine-5-boronic acid, pinacol ester,pyrimidine, 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,pyrimidin-5-ylboronic acid pinacol ester,4,4,5,5-tetramethyl-2-pyrimidin-5-yl-1,3,2-dioxaborolane PubChem CID: 4192667 IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine SMILES: CC1(C)OB(OC1(C)C)C1=CN=CN=C1
| PubChem CID | 4192667 |
|---|---|
| CAS | 321724-19-0 |
| Molecular Weight (g/mol) | 206.05 |
| MDL Number | MFCD05155223 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CN=CN=C1 |
| Synonym | 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,pyrimidine-5-boronic acid pinacol ester,pinacol ester pyrimidinyl-5-boronic acid,5-pyrimidineboronic acid pinacol ester,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidine,pyrimidyl-5-boronic acid pinacolate,pyrimidine-5-boronic acid, pinacol ester,pyrimidine, 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,pyrimidin-5-ylboronic acid pinacol ester,4,4,5,5-tetramethyl-2-pyrimidin-5-yl-1,3,2-dioxaborolane |
| IUPAC Name | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine |
| InChI Key | WSRGGSAGSUEJKQ-UHFFFAOYSA-N |
| Molecular Formula | C10H15BN2O2 |
Diltiazem Impurity Standard, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™
This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.
Perhydrocyclobuta[c]furan-1,3-dione, 97%, Thermo Scientific™
CAS: 4462-96-8 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.111 InChI Key: NMNZZIMBGSGRPN-UHFFFAOYSA-N Synonym: 3-oxabicyclo 3.2.0 heptane-2,4-dione,perhydrocyclobuta c furan-1,3-dione,1,2-cyclobutanedicarboxylic anhydride,cyclobutane-1,2-dicarboxylic anhydride,1,2-cyclobutanedicarboxylic anhydride, cis-,,acmc-1ahmk,3-oxabicyclo 3.2.0 heptane-2, cis PubChem CID: 138261 IUPAC Name: 3-oxabicyclo[3.2.0]heptane-2,4-dione SMILES: C1CC2C1C(=O)OC2=O
| PubChem CID | 138261 |
|---|---|
| CAS | 4462-96-8 |
| Molecular Weight (g/mol) | 126.111 |
| SMILES | C1CC2C1C(=O)OC2=O |
| Synonym | 3-oxabicyclo 3.2.0 heptane-2,4-dione,perhydrocyclobuta c furan-1,3-dione,1,2-cyclobutanedicarboxylic anhydride,cyclobutane-1,2-dicarboxylic anhydride,1,2-cyclobutanedicarboxylic anhydride, cis-,,acmc-1ahmk,3-oxabicyclo 3.2.0 heptane-2, cis |
| IUPAC Name | 3-oxabicyclo[3.2.0]heptane-2,4-dione |
| InChI Key | NMNZZIMBGSGRPN-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
Paroxetine Impurity Standard, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™
This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.
2-Benzimidazoleacetonitrile, 99%
CAS: 4414-88-4 Molecular Formula: C9H7N3 Molecular Weight (g/mol): 157.176 MDL Number: MFCD00005601 InChI Key: BWOVACANEIVHST-UHFFFAOYSA-N Synonym: 2-benzimidazolyl acetonitrile,2-cyanomethyl benzimidazole,1h-benzimidazole-2-acetonitrile,2-benzimidazoleacetonitrile,2-benzimidazolylacetonitrile,2-cyanomethylbenzimidazole,1h-benzimidazol-2-ylacetonitrile,2-kyanmethylbenzimidazol,benzimidazole, 2-cyanomethyl,2-1h-1,3-benzodiazol-2-yl acetonitrile PubChem CID: 20455 IUPAC Name: 2-(1H-benzimidazol-2-yl)acetonitrile SMILES: C1=CC=C2C(=C1)NC(=N2)CC#N
| PubChem CID | 20455 |
|---|---|
| CAS | 4414-88-4 |
| Molecular Weight (g/mol) | 157.176 |
| MDL Number | MFCD00005601 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)CC#N |
| Synonym | 2-benzimidazolyl acetonitrile,2-cyanomethyl benzimidazole,1h-benzimidazole-2-acetonitrile,2-benzimidazoleacetonitrile,2-benzimidazolylacetonitrile,2-cyanomethylbenzimidazole,1h-benzimidazol-2-ylacetonitrile,2-kyanmethylbenzimidazol,benzimidazole, 2-cyanomethyl,2-1h-1,3-benzodiazol-2-yl acetonitrile |
| IUPAC Name | 2-(1H-benzimidazol-2-yl)acetonitrile |
| InChI Key | BWOVACANEIVHST-UHFFFAOYSA-N |
| Molecular Formula | C9H7N3 |
4-(1-Methyl-1H-pyrazol-3-yl)benzonitrile, 97%, Thermo Scientific™
CAS: 915707-41-4 Molecular Formula: C11H9N3 Molecular Weight (g/mol): 183.214 MDL Number: MFCD09702350 InChI Key: OGJIPYGVYSEOQL-UHFFFAOYSA-N Synonym: 4-1-methyl-1h-pyrazol-3-yl benzonitrile,4-1-methylpyrazol-3-yl benzonitrile,4-1-methylpyrazol-3-yl benzenecarbonitrile,benzonitrile,4-1-methyl-1h-pyrazol-3-yl PubChem CID: 24229471 IUPAC Name: 4-(1-methylpyrazol-3-yl)benzonitrile SMILES: CN1C=CC(=N1)C2=CC=C(C=C2)C#N
| PubChem CID | 24229471 |
|---|---|
| CAS | 915707-41-4 |
| Molecular Weight (g/mol) | 183.214 |
| MDL Number | MFCD09702350 |
| SMILES | CN1C=CC(=N1)C2=CC=C(C=C2)C#N |
| Synonym | 4-1-methyl-1h-pyrazol-3-yl benzonitrile,4-1-methylpyrazol-3-yl benzonitrile,4-1-methylpyrazol-3-yl benzenecarbonitrile,benzonitrile,4-1-methyl-1h-pyrazol-3-yl |
| IUPAC Name | 4-(1-methylpyrazol-3-yl)benzonitrile |
| InChI Key | OGJIPYGVYSEOQL-UHFFFAOYSA-N |
| Molecular Formula | C11H9N3 |