Organoheterocyclic compounds
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Clomipramine Impurity F, 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.
Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate, 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.
(1-Methyl-1H-indol-5-yl)methanol, 97%, Thermo Scientific™
CAS: 448967-90-6 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.20 MDL Number: MFCD09025838 InChI Key: CEBLTQGXYITWTM-UHFFFAOYSA-N Synonym: 1-methyl-1h-indol-5-yl methanol,1-methylindol-5-yl methanol,1h-indole-5-methanol, 1-methyl-9ci PubChem CID: 24229490 IUPAC Name: (1-methylindol-5-yl)methanol SMILES: CN1C=CC2=CC(CO)=CC=C12
| PubChem CID | 24229490 |
|---|---|
| CAS | 448967-90-6 |
| Molecular Weight (g/mol) | 161.20 |
| MDL Number | MFCD09025838 |
| SMILES | CN1C=CC2=CC(CO)=CC=C12 |
| Synonym | 1-methyl-1h-indol-5-yl methanol,1-methylindol-5-yl methanol,1h-indole-5-methanol, 1-methyl-9ci |
| IUPAC Name | (1-methylindol-5-yl)methanol |
| InChI Key | CEBLTQGXYITWTM-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO |
5-Bromo-2-pyrazinamine, Tech., Thermo Scientific™
CAS: 59489-71-3 Molecular Formula: C4H4BrN3 Molecular Weight (g/mol): 174.001 MDL Number: MFCD00235015 InChI Key: KRRTXVSBTPCDOS-UHFFFAOYSA-N Synonym: 2-amino-5-bromopyrazine,5-bromo-2-pyrazinamine,5-bromo-pyrazin-2-ylamine,2-bromo-5-aminopyrazine,pyrazinamine, 5-bromo,5-amino-2-bromopyrazine,5-bromo-2-aminopyrazine,5-bromopyrazin-2-ylamine,5-bromopyrazinamine,2-amino-5-bromo-pyrazine PubChem CID: 599539 IUPAC Name: 5-bromopyrazin-2-amine SMILES: C1=C(N=CC(=N1)Br)N
| PubChem CID | 599539 |
|---|---|
| CAS | 59489-71-3 |
| Molecular Weight (g/mol) | 174.001 |
| MDL Number | MFCD00235015 |
| SMILES | C1=C(N=CC(=N1)Br)N |
| Synonym | 2-amino-5-bromopyrazine,5-bromo-2-pyrazinamine,5-bromo-pyrazin-2-ylamine,2-bromo-5-aminopyrazine,pyrazinamine, 5-bromo,5-amino-2-bromopyrazine,5-bromo-2-aminopyrazine,5-bromopyrazin-2-ylamine,5-bromopyrazinamine,2-amino-5-bromo-pyrazine |
| IUPAC Name | 5-bromopyrazin-2-amine |
| InChI Key | KRRTXVSBTPCDOS-UHFFFAOYSA-N |
| Molecular Formula | C4H4BrN3 |
Benzyl 2-(hydroxymethyl)-1-indolinecarboxylate, ≥95%, Thermo Scientific™
CAS: 135829-04-8 Molecular Formula: C17H17NO3 Molecular Weight (g/mol): 283.327 MDL Number: MFCD02682013 InChI Key: QSMOQTIGILELKY-UHFFFAOYSA-N Synonym: benzyl 2-hydroxymethyl-1-indolinecarboxylate,benzyl 2-hydroxymethyl indoline-1-carboxylate,benzyl 2-hydroxymethyl-2,3-dihydroindole-1-carboxylate,1h-indole-1-carboxylicacid, 2,3-dihydro-2-hydroxymethyl-, phenylmethyl ester,acmc-20c3wg,1-benzyloxycarbonylindoline-2-methanol,+/-1-benzyloxycarbonyl-2-hydroxymethylindoline PubChem CID: 2776402 IUPAC Name: benzyl 2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate SMILES: C1C(N(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)CO
| PubChem CID | 2776402 |
|---|---|
| CAS | 135829-04-8 |
| Molecular Weight (g/mol) | 283.327 |
| MDL Number | MFCD02682013 |
| SMILES | C1C(N(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)CO |
| Synonym | benzyl 2-hydroxymethyl-1-indolinecarboxylate,benzyl 2-hydroxymethyl indoline-1-carboxylate,benzyl 2-hydroxymethyl-2,3-dihydroindole-1-carboxylate,1h-indole-1-carboxylicacid, 2,3-dihydro-2-hydroxymethyl-, phenylmethyl ester,acmc-20c3wg,1-benzyloxycarbonylindoline-2-methanol,+/-1-benzyloxycarbonyl-2-hydroxymethylindoline |
| IUPAC Name | benzyl 2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate |
| InChI Key | QSMOQTIGILELKY-UHFFFAOYSA-N |
| Molecular Formula | C17H17NO3 |
1-[(Benzyloxy)carbonyl]-2-indolinecarboxylic acid, ≥90%, Thermo Scientific™
CAS: 117483-89-3 Molecular Formula: C17H15NO4 Molecular Weight (g/mol): 297.31 MDL Number: MFCD02682032 InChI Key: BSOYWTITVKXHLM-UHFFFAOYNA-N Synonym: 1-benzyloxy carbonyl-2-indolinecarboxylic acid,1-benzyloxy carbonyl indoline-2-carboxylic acid,1-benzyloxy carbonyl-2,3-dihydroindole-2-carboxylic acid,2,3-dihydro-1h-indole-1,2-dicarboxylic acid 1-benzyl ester,1-benzyloxy carbonyl-2,3-dihydro-1h-indole-2-carboxylic acid,1h-indole-1,2-dicarboxylicacid, 2,3-dihydro-, 1-phenylmethyl ester,acmc-1brpx,1h-indole-1,2-dicarboxylicacid, 2,3-dihydro-, 1-phenylmethyl ester, 2s,1-benzyloxycarbonyl-2-indoline carboxylic acid,1-benzyl-oxy carbonyl-2-indolinecarboxylic acid PubChem CID: 2776400 IUPAC Name: 1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid SMILES: OC(=O)C1CC2=CC=CC=C2N1C(=O)OCC1=CC=CC=C1
| PubChem CID | 2776400 |
|---|---|
| CAS | 117483-89-3 |
| Molecular Weight (g/mol) | 297.31 |
| MDL Number | MFCD02682032 |
| SMILES | OC(=O)C1CC2=CC=CC=C2N1C(=O)OCC1=CC=CC=C1 |
| Synonym | 1-benzyloxy carbonyl-2-indolinecarboxylic acid,1-benzyloxy carbonyl indoline-2-carboxylic acid,1-benzyloxy carbonyl-2,3-dihydroindole-2-carboxylic acid,2,3-dihydro-1h-indole-1,2-dicarboxylic acid 1-benzyl ester,1-benzyloxy carbonyl-2,3-dihydro-1h-indole-2-carboxylic acid,1h-indole-1,2-dicarboxylicacid, 2,3-dihydro-, 1-phenylmethyl ester,acmc-1brpx,1h-indole-1,2-dicarboxylicacid, 2,3-dihydro-, 1-phenylmethyl ester, 2s,1-benzyloxycarbonyl-2-indoline carboxylic acid,1-benzyl-oxy carbonyl-2-indolinecarboxylic acid |
| IUPAC Name | 1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid |
| InChI Key | BSOYWTITVKXHLM-UHFFFAOYNA-N |
| Molecular Formula | C17H15NO4 |
1-Methyl-1H-indole-6-carbaldehyde, 97%, Thermo Scientific™
CAS: 21005-45-8 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.19 MDL Number: MFCD08690251 InChI Key: QGAKKGIWURKKHV-UHFFFAOYSA-N Synonym: 1-methyl-1h-indole-6-carbaldehyde,1h-indole-6-carboxaldehyde, 1-methyl,1h-indole-6-carboxaldehyde,1-methyl,6-formy-1-methylindole,6-formyl-1-methylindole,1-methyl-1h-indole-6-carboxaldehyde PubChem CID: 14835679 IUPAC Name: 1-methylindole-6-carbaldehyde SMILES: CN1C=CC2=CC=C(C=O)C=C12
| PubChem CID | 14835679 |
|---|---|
| CAS | 21005-45-8 |
| Molecular Weight (g/mol) | 159.19 |
| MDL Number | MFCD08690251 |
| SMILES | CN1C=CC2=CC=C(C=O)C=C12 |
| Synonym | 1-methyl-1h-indole-6-carbaldehyde,1h-indole-6-carboxaldehyde, 1-methyl,1h-indole-6-carboxaldehyde,1-methyl,6-formy-1-methylindole,6-formyl-1-methylindole,1-methyl-1h-indole-6-carboxaldehyde |
| IUPAC Name | 1-methylindole-6-carbaldehyde |
| InChI Key | QGAKKGIWURKKHV-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
5-bromo-1-methyl-1H-indole-3-carbaldehyde, Thermo Scientific™
CAS: 10102-94-0 Molecular Formula: C10H8BrNO Molecular Weight (g/mol): 238.084 InChI Key: NZJJLQUTQOICBN-UHFFFAOYSA-N Synonym: 5-bromo-1-methyl-1h-indole-3-carbaldehyde,1h-indole-3-carboxaldehyde,5-bromo-1-methyl,1h-indole-3-carboxaldehyde, 5-bromo-1-methyl,chembrdg-bb 5100225,1-methyl-5-bromoindole-3-aldehyde,1-methyl-5-bromo-1h-indole-3-carbaldehyde PubChem CID: 778451 IUPAC Name: 5-bromo-1-methylindole-3-carbaldehyde SMILES: CN1C=C(C2=C1C=CC(=C2)Br)C=O
| PubChem CID | 778451 |
|---|---|
| CAS | 10102-94-0 |
| Molecular Weight (g/mol) | 238.084 |
| SMILES | CN1C=C(C2=C1C=CC(=C2)Br)C=O |
| Synonym | 5-bromo-1-methyl-1h-indole-3-carbaldehyde,1h-indole-3-carboxaldehyde,5-bromo-1-methyl,1h-indole-3-carboxaldehyde, 5-bromo-1-methyl,chembrdg-bb 5100225,1-methyl-5-bromoindole-3-aldehyde,1-methyl-5-bromo-1h-indole-3-carbaldehyde |
| IUPAC Name | 5-bromo-1-methylindole-3-carbaldehyde |
| InChI Key | NZJJLQUTQOICBN-UHFFFAOYSA-N |
| Molecular Formula | C10H8BrNO |
1-methyl-1h-indazole-3-carbonyl chloride, 97%, Thermo Scientific™
CAS: 106649-02-9 Molecular Formula: C9H7ClN2O Molecular Weight (g/mol): 194.62 MDL Number: MFCD02093096 InChI Key: NPNWVMBPSINFBV-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-3-carbonyl chloride,1h-indazole-3-carbonylchloride, 1-methyl,1-methyl-1h-indazol-3-carbonyl chloride,1h-indazole-3-carbonyl chloride, 1-methyl,acmc-20mac8,1-methyl-3-indazolylcarbonyl chloride,1-methyl-indazole-3-carbonyl chloride,1-methyl-1h-indazole-3-carboxychloride,1-methyl-1h-indazole-3-carboxylic acid chloride PubChem CID: 7022055 IUPAC Name: 1-methylindazole-3-carbonyl chloride SMILES: CN1N=C(C(Cl)=O)C2=CC=CC=C12
| PubChem CID | 7022055 |
|---|---|
| CAS | 106649-02-9 |
| Molecular Weight (g/mol) | 194.62 |
| MDL Number | MFCD02093096 |
| SMILES | CN1N=C(C(Cl)=O)C2=CC=CC=C12 |
| Synonym | 1-methyl-1h-indazole-3-carbonyl chloride,1h-indazole-3-carbonylchloride, 1-methyl,1-methyl-1h-indazol-3-carbonyl chloride,1h-indazole-3-carbonyl chloride, 1-methyl,acmc-20mac8,1-methyl-3-indazolylcarbonyl chloride,1-methyl-indazole-3-carbonyl chloride,1-methyl-1h-indazole-3-carboxychloride,1-methyl-1h-indazole-3-carboxylic acid chloride |
| IUPAC Name | 1-methylindazole-3-carbonyl chloride |
| InChI Key | NPNWVMBPSINFBV-UHFFFAOYSA-N |
| Molecular Formula | C9H7ClN2O |
1,3-Dimethyl-1H-pyrazol-5-amine, 97%, Thermo Scientific™
CAS: 3524-32-1 Molecular Formula: C5H9N3 Molecular Weight (g/mol): 111.148 MDL Number: MFCD00051651 InChI Key: ZFDGMMZLXSFNFU-UHFFFAOYSA-N Synonym: 5-amino-1,3-dimethylpyrazole,1,3-dimethyl-1h-pyrazol-5-amine,1,3-dimethyl-1h-pyrazole-5yl-amine,1h-pyrazol-5-amine, 1,3-dimethyl,3-amino-2,5-dimethyl-2h-pyrazole,2,5-dimethyl-2h-pyrazol-3-ylamine,5-amino-1,3-dimethyl pyrazole,1,3-dimethyl-1h-pyrazole-5-amine,5-amino-1,3-dimethyl-1h-pyrazole,1,3-dimethyl-5-aminopyrazole PubChem CID: 520721 IUPAC Name: 2,5-dimethylpyrazol-3-amine SMILES: CC1=NN(C(=C1)N)C
| PubChem CID | 520721 |
|---|---|
| CAS | 3524-32-1 |
| Molecular Weight (g/mol) | 111.148 |
| MDL Number | MFCD00051651 |
| SMILES | CC1=NN(C(=C1)N)C |
| Synonym | 5-amino-1,3-dimethylpyrazole,1,3-dimethyl-1h-pyrazol-5-amine,1,3-dimethyl-1h-pyrazole-5yl-amine,1h-pyrazol-5-amine, 1,3-dimethyl,3-amino-2,5-dimethyl-2h-pyrazole,2,5-dimethyl-2h-pyrazol-3-ylamine,5-amino-1,3-dimethyl pyrazole,1,3-dimethyl-1h-pyrazole-5-amine,5-amino-1,3-dimethyl-1h-pyrazole,1,3-dimethyl-5-aminopyrazole |
| IUPAC Name | 2,5-dimethylpyrazol-3-amine |
| InChI Key | ZFDGMMZLXSFNFU-UHFFFAOYSA-N |
| Molecular Formula | C5H9N3 |
4-(1H-Pyrazol-1-ylmethyl)benzonitrile, ≥97%, Thermo Scientific™
CAS: 179057-34-2 Molecular Formula: C11H9N3 Molecular Weight (g/mol): 183.214 MDL Number: MFCD07687291 InChI Key: FPZADNOIMZEBTC-UHFFFAOYSA-N Synonym: 4-1h-pyrazol-1-ylmethyl benzonitrile,4-pyrazol-1-ylmethyl benzonitrile,benzonitrile,4-1h-pyrazol-1-ylmethyl,4-1h-pyrazol-1-yl methyl benzonitrile,4-pyrazolylmethyl benzenecarbonitrile,4-1h-pyrazole-1-ylmethyl benzonitrile PubChem CID: 8834695 IUPAC Name: 4-(pyrazol-1-ylmethyl)benzonitrile SMILES: C1=CN(N=C1)CC2=CC=C(C=C2)C#N
| PubChem CID | 8834695 |
|---|---|
| CAS | 179057-34-2 |
| Molecular Weight (g/mol) | 183.214 |
| MDL Number | MFCD07687291 |
| SMILES | C1=CN(N=C1)CC2=CC=C(C=C2)C#N |
| Synonym | 4-1h-pyrazol-1-ylmethyl benzonitrile,4-pyrazol-1-ylmethyl benzonitrile,benzonitrile,4-1h-pyrazol-1-ylmethyl,4-1h-pyrazol-1-yl methyl benzonitrile,4-pyrazolylmethyl benzenecarbonitrile,4-1h-pyrazole-1-ylmethyl benzonitrile |
| IUPAC Name | 4-(pyrazol-1-ylmethyl)benzonitrile |
| InChI Key | FPZADNOIMZEBTC-UHFFFAOYSA-N |
| Molecular Formula | C11H9N3 |
Pyrazole, 98%, pure
CAS: 288-13-1 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005234 InChI Key: WTKZEGDFNFYCGP-UHFFFAOYSA-N Synonym: pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 PubChem CID: 1048 ChEBI: CHEBI:17241 IUPAC Name: 1H-pyrazole SMILES: C1=CNN=C1
| PubChem CID | 1048 |
|---|---|
| CAS | 288-13-1 |
| Molecular Weight (g/mol) | 68.08 |
| ChEBI | CHEBI:17241 |
| MDL Number | MFCD00005234 |
| SMILES | C1=CNN=C1 |
| Synonym | pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 |
| IUPAC Name | 1H-pyrazole |
| InChI Key | WTKZEGDFNFYCGP-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2 |
5-Bromo-2-nitropyridine, 98+%, Thermo Scientific Chemicals
CAS: 39856-50-3 Molecular Formula: C5H3BrN2O2 Molecular Weight (g/mol): 203.00 MDL Number: MFCD00160411 InChI Key: ATXXLNCPVSUCNK-UHFFFAOYSA-N Synonym: 2-nitro-5-bromopyridine,pyridine, 5-bromo-2-nitro,2-nitro-5-bromo pyridine,5-bromo-2-nitro-pyridine,5-brom-2-nitropyridin,pubchem6691,5-bromo2-nitropyridine,5-bromo-2-nitropyridin,3-bromo-6-nitro pyridine,5-bromo-2-nitro pyridine PubChem CID: 817620 IUPAC Name: 5-bromo-2-nitropyridine SMILES: [O-][N+](=O)C1=CC=C(Br)C=N1
| PubChem CID | 817620 |
|---|---|
| CAS | 39856-50-3 |
| Molecular Weight (g/mol) | 203.00 |
| MDL Number | MFCD00160411 |
| SMILES | [O-][N+](=O)C1=CC=C(Br)C=N1 |
| Synonym | 2-nitro-5-bromopyridine,pyridine, 5-bromo-2-nitro,2-nitro-5-bromo pyridine,5-bromo-2-nitro-pyridine,5-brom-2-nitropyridin,pubchem6691,5-bromo2-nitropyridine,5-bromo-2-nitropyridin,3-bromo-6-nitro pyridine,5-bromo-2-nitro pyridine |
| IUPAC Name | 5-bromo-2-nitropyridine |
| InChI Key | ATXXLNCPVSUCNK-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrN2O2 |
3-Ethyl-5-methylisoxazole-4-carboxylic acid, 97%
CAS: 17147-85-2 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.153 MDL Number: MFCD03422293 InChI Key: RSWFHHWVFZWIMV-UHFFFAOYSA-N Synonym: 3-ethyl-5-methylisoxazole-4-carboxylic acid,3-ethyl-5-methyl-isoxazole-4-carboxylic acid,3-ethyl-5-methyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl,acmc-1c8pz,4-isoxazolecarboxylicacid,3-ethyl-5-methyl,4-isoxazolecarboxylicacid, 3-ethyl-5-methyl,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl-8ci,9ci PubChem CID: 2063310 IUPAC Name: 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid SMILES: CCC1=NOC(=C1C(=O)O)C
| PubChem CID | 2063310 |
|---|---|
| CAS | 17147-85-2 |
| Molecular Weight (g/mol) | 155.153 |
| MDL Number | MFCD03422293 |
| SMILES | CCC1=NOC(=C1C(=O)O)C |
| Synonym | 3-ethyl-5-methylisoxazole-4-carboxylic acid,3-ethyl-5-methyl-isoxazole-4-carboxylic acid,3-ethyl-5-methyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl,acmc-1c8pz,4-isoxazolecarboxylicacid,3-ethyl-5-methyl,4-isoxazolecarboxylicacid, 3-ethyl-5-methyl,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl-8ci,9ci |
| IUPAC Name | 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid |
| InChI Key | RSWFHHWVFZWIMV-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO3 |
Quinoxaline-2-carboxylic acid, 97%
CAS: 879-65-2 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.16 MDL Number: MFCD00012334 InChI Key: UPUZGXILYFKSGE-UHFFFAOYSA-N Synonym: 2-quinoxalinecarboxylic acid,2-quinoxalinecarboxylicacid,unii-m5oe8sn42m,2-carboxyquinoxaline,m5oe8sn42m,2-qca,pubchem9776,carbadox metabolite,acmc-1bl7g,quinoxaline carboxylic acid PubChem CID: 96695 IUPAC Name: quinoxaline-2-carboxylic acid SMILES: OC(=O)C1=CN=C2C=CC=CC2=N1
| PubChem CID | 96695 |
|---|---|
| CAS | 879-65-2 |
| Molecular Weight (g/mol) | 174.16 |
| MDL Number | MFCD00012334 |
| SMILES | OC(=O)C1=CN=C2C=CC=CC2=N1 |
| Synonym | 2-quinoxalinecarboxylic acid,2-quinoxalinecarboxylicacid,unii-m5oe8sn42m,2-carboxyquinoxaline,m5oe8sn42m,2-qca,pubchem9776,carbadox metabolite,acmc-1bl7g,quinoxaline carboxylic acid |
| IUPAC Name | quinoxaline-2-carboxylic acid |
| InChI Key | UPUZGXILYFKSGE-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2 |