Organoheterocyclic compounds
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1,2:3,4-Di-O-isopropylidene-alpha-D-galactopyranose 92.0+%, TCI America™
CAS: 4064-06-6 Molecular Formula: C12H20O6 Molecular Weight (g/mol): 260.29 MDL Number: MFCD00063225 InChI Key: POORJMIIHXHXAV-UHFFFAOYNA-N Synonym: 1,2:3,4-di-o-isopropylidene-d-galactose,1,2:3,4-di-o-isopropylidene-,a-d-galactopyranose,1,2:3,4-bis-o-1-methylethylidene-,1s,6r,9s-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo 7.3.0.0 2 ,? dodecan-8-yl methanol PubChem CID: 70793572 IUPAC Name: [(3aR,5aS,8aS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydro-3aH-di[1,3]dioxolo[4,5-a SMILES: CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)CO)C
| PubChem CID | 70793572 |
|---|---|
| CAS | 4064-06-6 |
| Molecular Weight (g/mol) | 260.29 |
| MDL Number | MFCD00063225 |
| SMILES | CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)CO)C |
| Synonym | 1,2:3,4-di-o-isopropylidene-d-galactose,1,2:3,4-di-o-isopropylidene-,a-d-galactopyranose,1,2:3,4-bis-o-1-methylethylidene-,1s,6r,9s-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo 7.3.0.0 2 ,? dodecan-8-yl methanol |
| IUPAC Name | [(3aR,5aS,8aS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydro-3aH-di[1,3]dioxolo[4,5-a |
| InChI Key | POORJMIIHXHXAV-UHFFFAOYNA-N |
| Molecular Formula | C12H20O6 |
1,2-Benzisoxazole-3-acetic Acid 98.0+%, TCI America™
CAS: 4865-84-3 Molecular Formula: C9H6NO3 Molecular Weight (g/mol): 176.15 MDL Number: MFCD02180388 InChI Key: BVSIAYQIMUUCRW-UHFFFAOYSA-M Synonym: 2-1,2-benzisoxazol-3-yl acetic acid,1,2-benzisoxazole-3-acetic acid,1,2-benzisoxazol-3-ylacetic acid,2-1,2-benzoxazol-3-yl acetic acid,2-benzo d isoxazol-3-yl acetic acid,1,2-benzoxazol-3-ylacetic acid,2-benzo d isoxazol-3-ylacetic acid,2-1,2-benzoxazol-3-yl ethanoic acid,nvu,zlchem 388 PubChem CID: 301729 IUPAC Name: 2-(1,2-benzoxazol-3-yl)acetate SMILES: [O-]C(=O)CC1=NOC2=CC=CC=C12
| PubChem CID | 301729 |
|---|---|
| CAS | 4865-84-3 |
| Molecular Weight (g/mol) | 176.15 |
| MDL Number | MFCD02180388 |
| SMILES | [O-]C(=O)CC1=NOC2=CC=CC=C12 |
| Synonym | 2-1,2-benzisoxazol-3-yl acetic acid,1,2-benzisoxazole-3-acetic acid,1,2-benzisoxazol-3-ylacetic acid,2-1,2-benzoxazol-3-yl acetic acid,2-benzo d isoxazol-3-yl acetic acid,1,2-benzoxazol-3-ylacetic acid,2-benzo d isoxazol-3-ylacetic acid,2-1,2-benzoxazol-3-yl ethanoic acid,nvu,zlchem 388 |
| IUPAC Name | 2-(1,2-benzoxazol-3-yl)acetate |
| InChI Key | BVSIAYQIMUUCRW-UHFFFAOYSA-M |
| Molecular Formula | C9H6NO3 |
Bis[2-(2-benzoxazolyl)phenolato]zinc(II) 97.0+%, TCI America™
CAS: 23467-27-8 Molecular Formula: C26H18N2O4Zn Molecular Weight (g/mol): 487.82 MDL Number: MFCD03844767 InChI Key: KYYRCGSPILJUQZ-UHFFFAOYSA-N PubChem CID: 132773703 IUPAC Name: 6-(3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one;zinc SMILES: C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)O2.C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)O2.[Zn]
| PubChem CID | 132773703 |
|---|---|
| CAS | 23467-27-8 |
| Molecular Weight (g/mol) | 487.82 |
| MDL Number | MFCD03844767 |
| SMILES | C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)O2.C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)O2.[Zn] |
| IUPAC Name | 6-(3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one;zinc |
| InChI Key | KYYRCGSPILJUQZ-UHFFFAOYSA-N |
| Molecular Formula | C26H18N2O4Zn |
2-Hydrazinoquinoline 98.0+%, TCI America™
CAS: 15793-77-8 Molecular Formula: C9H9N3 Molecular Weight (g/mol): 159.19 MDL Number: MFCD00041860 InChI Key: QMVCLSHKMIGEFN-UHFFFAOYSA-N PubChem CID: 85111 IUPAC Name: 2-hydrazinylquinoline SMILES: NNC1=CC=C2C=CC=CC2=N1
| PubChem CID | 85111 |
|---|---|
| CAS | 15793-77-8 |
| Molecular Weight (g/mol) | 159.19 |
| MDL Number | MFCD00041860 |
| SMILES | NNC1=CC=C2C=CC=CC2=N1 |
| IUPAC Name | 2-hydrazinylquinoline |
| InChI Key | QMVCLSHKMIGEFN-UHFFFAOYSA-N |
| Molecular Formula | C9H9N3 |
2,3-Dihydro-7-azaindole 98.0+%, TCI America™
CAS: 10592-27-5 Molecular Formula: C7H8N2 Molecular Weight (g/mol): 120.155 MDL Number: MFCD06659751 InChI Key: ZFFYPGZDXUPKNK-UHFFFAOYSA-N Synonym: 2,3-dihydro-1h-pyrrolo 2,3-b pyridine,7-azaindoline,2,3-dihydro-7-azaindole,1h,2h,3h-pyrrolo 2,3-b pyridine,1h-pyrrolo 2,3-b pyridine, 2,3-dihydro,2,3-dihydro-1h-pyrrolo 2,3-b pyridine 7-azaindoline,pubchem18022,acmc-2098hy,ksc492q5f PubChem CID: 10011889 IUPAC Name: 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine SMILES: C1CNC2=C1C=CC=N2
| PubChem CID | 10011889 |
|---|---|
| CAS | 10592-27-5 |
| Molecular Weight (g/mol) | 120.155 |
| MDL Number | MFCD06659751 |
| SMILES | C1CNC2=C1C=CC=N2 |
| Synonym | 2,3-dihydro-1h-pyrrolo 2,3-b pyridine,7-azaindoline,2,3-dihydro-7-azaindole,1h,2h,3h-pyrrolo 2,3-b pyridine,1h-pyrrolo 2,3-b pyridine, 2,3-dihydro,2,3-dihydro-1h-pyrrolo 2,3-b pyridine 7-azaindoline,pubchem18022,acmc-2098hy,ksc492q5f |
| IUPAC Name | 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine |
| InChI Key | ZFFYPGZDXUPKNK-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2 |
6-Aminonicotinamide 99.0+%, TCI America™
CAS: 329-89-5 Molecular Formula: C6H7N3O Molecular Weight (g/mol): 137.14 MDL Number: MFCD00006327 InChI Key: ZLWYEPMDOUQDBW-UHFFFAOYSA-N Synonym: 6-aminonicotinamide,2-amino-5-carbamoylpyridine,3-pyridinecarboxamide, 6-amino,6-amino-3-pyridinecarboxamide,6-aminonicotinic acid amide,6-aminonikotinsaeureamid,nicotinamide, 6-amino,aminonicotinamide,6-an,6-amino-nicotinsaeureamid PubChem CID: 9500 ChEBI: CHEBI:74514 IUPAC Name: 6-aminopyridine-3-carboxamide SMILES: NC(=O)C1=CC=C(N)N=C1
| PubChem CID | 9500 |
|---|---|
| CAS | 329-89-5 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:74514 |
| MDL Number | MFCD00006327 |
| SMILES | NC(=O)C1=CC=C(N)N=C1 |
| Synonym | 6-aminonicotinamide,2-amino-5-carbamoylpyridine,3-pyridinecarboxamide, 6-amino,6-amino-3-pyridinecarboxamide,6-aminonicotinic acid amide,6-aminonikotinsaeureamid,nicotinamide, 6-amino,aminonicotinamide,6-an,6-amino-nicotinsaeureamid |
| IUPAC Name | 6-aminopyridine-3-carboxamide |
| InChI Key | ZLWYEPMDOUQDBW-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O |
4-Amino-2-chloro-5-fluoropyrimidine 98.0+%, TCI America™
CAS: 155-10-2 Molecular Formula: C4H3ClFN3 Molecular Weight (g/mol): 147.537 MDL Number: MFCD00057344 InChI Key: SLQAJWTZUXJPNY-UHFFFAOYSA-N Synonym: 4-amino-2-chloro-5-fluoropyrimidine,2-chloro-5-fluoro-pyrimidin-4-ylamine,2-chloro-4-amino-5-fluoropyrimidine,2-chloro-5-fluoro-4-aminopyrimidine,2-chloro-5-fluoropyrimidin-4-ylamine,2-chloro-5-fluoropyrimidine-4-ylamine,4-pyrimidinamine, 2-chloro-5-fluoro,4-pyrimidinamine, 2-chloro-5-fluoro-9ci,pubchem6930,2-chlor-4-amino-5-fluorpyrimidin PubChem CID: 254372 IUPAC Name: 2-chloro-5-fluoropyrimidin-4-amine SMILES: C1=C(C(=NC(=N1)Cl)N)F
| PubChem CID | 254372 |
|---|---|
| CAS | 155-10-2 |
| Molecular Weight (g/mol) | 147.537 |
| MDL Number | MFCD00057344 |
| SMILES | C1=C(C(=NC(=N1)Cl)N)F |
| Synonym | 4-amino-2-chloro-5-fluoropyrimidine,2-chloro-5-fluoro-pyrimidin-4-ylamine,2-chloro-4-amino-5-fluoropyrimidine,2-chloro-5-fluoro-4-aminopyrimidine,2-chloro-5-fluoropyrimidin-4-ylamine,2-chloro-5-fluoropyrimidine-4-ylamine,4-pyrimidinamine, 2-chloro-5-fluoro,4-pyrimidinamine, 2-chloro-5-fluoro-9ci,pubchem6930,2-chlor-4-amino-5-fluorpyrimidin |
| IUPAC Name | 2-chloro-5-fluoropyrimidin-4-amine |
| InChI Key | SLQAJWTZUXJPNY-UHFFFAOYSA-N |
| Molecular Formula | C4H3ClFN3 |
3-Ethoxy-2-nitropyridine 98.0+%, TCI America™
CAS: 74037-50-6 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00006257 InChI Key: WBEVIQNYYGPESH-UHFFFAOYSA-N PubChem CID: 52866 IUPAC Name: 3-ethoxy-2-nitropyridine SMILES: CCOC1=CC=CN=C1[N+]([O-])=O
| PubChem CID | 52866 |
|---|---|
| CAS | 74037-50-6 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00006257 |
| SMILES | CCOC1=CC=CN=C1[N+]([O-])=O |
| IUPAC Name | 3-ethoxy-2-nitropyridine |
| InChI Key | WBEVIQNYYGPESH-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O3 |
Indole-6-carboxylic Acid 98.0+%, TCI America™
CAS: 1670-82-2 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00210441 InChI Key: GHTDODSYDCPOCW-UHFFFAOYSA-N Synonym: indole-6-carboxylic acid,6-indolecarboxylic acid,6-carboxyindole,6-indole carboxylic acid,pubchem1695,6-carboxy-1h-indole,indole-6-carboxylicacid,indol-6-carboxylic acid,indole 6-carboxylic acid,maybridge4_003509 PubChem CID: 595230 IUPAC Name: 1H-indole-6-carboxylic acid SMILES: C1=CC(=CC2=C1C=CN2)C(=O)O
| PubChem CID | 595230 |
|---|---|
| CAS | 1670-82-2 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00210441 |
| SMILES | C1=CC(=CC2=C1C=CN2)C(=O)O |
| Synonym | indole-6-carboxylic acid,6-indolecarboxylic acid,6-carboxyindole,6-indole carboxylic acid,pubchem1695,6-carboxy-1h-indole,indole-6-carboxylicacid,indol-6-carboxylic acid,indole 6-carboxylic acid,maybridge4_003509 |
| IUPAC Name | 1H-indole-6-carboxylic acid |
| InChI Key | GHTDODSYDCPOCW-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
9-Benzylcarbazole 98.0+%, TCI America™
CAS: 19402-87-0 Molecular Formula: C19H15N Molecular Weight (g/mol): 257.34 MDL Number: MFCD00218286 InChI Key: HBAKJBGOHINNQM-UHFFFAOYSA-N PubChem CID: 146485 IUPAC Name: 9-benzyl-9H-carbazole SMILES: C(N1C2=C(C=CC=C2)C2=C1C=CC=C2)C1=CC=CC=C1
| PubChem CID | 146485 |
|---|---|
| CAS | 19402-87-0 |
| Molecular Weight (g/mol) | 257.34 |
| MDL Number | MFCD00218286 |
| SMILES | C(N1C2=C(C=CC=C2)C2=C1C=CC=C2)C1=CC=CC=C1 |
| IUPAC Name | 9-benzyl-9H-carbazole |
| InChI Key | HBAKJBGOHINNQM-UHFFFAOYSA-N |
| Molecular Formula | C19H15N |
N4-(3-Bromophenyl)quinazoline-4,6-diamine 98.0+%, TCI America™
CAS: 169205-78-1 Molecular Formula: C14H11BrN4 Molecular Weight (g/mol): 315.17 MDL Number: MFCD09908082 InChI Key: IZQHULBHKPGOAP-UHFFFAOYSA-N PubChem CID: 5328042 IUPAC Name: N4-(3-bromophenyl)quinazoline-4,6-diamine SMILES: NC1=CC2=C(NC3=CC(Br)=CC=C3)N=CN=C2C=C1
| PubChem CID | 5328042 |
|---|---|
| CAS | 169205-78-1 |
| Molecular Weight (g/mol) | 315.17 |
| MDL Number | MFCD09908082 |
| SMILES | NC1=CC2=C(NC3=CC(Br)=CC=C3)N=CN=C2C=C1 |
| IUPAC Name | N4-(3-bromophenyl)quinazoline-4,6-diamine |
| InChI Key | IZQHULBHKPGOAP-UHFFFAOYSA-N |
| Molecular Formula | C14H11BrN4 |
GW 2580 98.0+%, TCI America™
CAS: 870483-87-7 Molecular Formula: C20H22N4O3 Molecular Weight (g/mol): 366.42 MDL Number: MFCD12024701 InChI Key: MYQAUKPBNJWPIE-UHFFFAOYSA-N Synonym: 5-[3-Methoxy-4-[(4-methoxybenzyl)oxy]benzyl]pyrimidine-2,4-diamine PubChem CID: 11617559 IUPAC Name: 5-({3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl}methyl)pyrimidine-2,4-diamine SMILES: COC1=CC=C(COC2=C(OC)C=C(CC3=CN=C(N)N=C3N)C=C2)C=C1
| PubChem CID | 11617559 |
|---|---|
| CAS | 870483-87-7 |
| Molecular Weight (g/mol) | 366.42 |
| MDL Number | MFCD12024701 |
| SMILES | COC1=CC=C(COC2=C(OC)C=C(CC3=CN=C(N)N=C3N)C=C2)C=C1 |
| Synonym | 5-[3-Methoxy-4-[(4-methoxybenzyl)oxy]benzyl]pyrimidine-2,4-diamine |
| IUPAC Name | 5-({3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl}methyl)pyrimidine-2,4-diamine |
| InChI Key | MYQAUKPBNJWPIE-UHFFFAOYSA-N |
| Molecular Formula | C20H22N4O3 |
3-Bromo-2-nitropyridine 98.0+%, TCI America™
CAS: 54231-33-3 Molecular Formula: C5H3BrN2O2 Molecular Weight (g/mol): 203.00 MDL Number: MFCD00955614 InChI Key: WFNISJZUJCKTLT-UHFFFAOYSA-N Synonym: 2-nitro-3-bromopyridine,pyridine, 3-bromo-2-nitro,3-bromo-2-nitro-pyridine,pubchem4502,pubchem10100,acmc-1ay9l,#,ksc494a7n,3-bromo-2-nitriopyridine PubChem CID: 594044 IUPAC Name: 3-bromo-2-nitropyridine SMILES: [O-][N+](=O)C1=NC=CC=C1Br
| PubChem CID | 594044 |
|---|---|
| CAS | 54231-33-3 |
| Molecular Weight (g/mol) | 203.00 |
| MDL Number | MFCD00955614 |
| SMILES | [O-][N+](=O)C1=NC=CC=C1Br |
| Synonym | 2-nitro-3-bromopyridine,pyridine, 3-bromo-2-nitro,3-bromo-2-nitro-pyridine,pubchem4502,pubchem10100,acmc-1ay9l,#,ksc494a7n,3-bromo-2-nitriopyridine |
| IUPAC Name | 3-bromo-2-nitropyridine |
| InChI Key | WFNISJZUJCKTLT-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrN2O2 |
N6-Benzoyladenine 98.0+%, TCI America™
CAS: 4005-49-6 Molecular Formula: C12H9N5O Molecular Weight (g/mol): 239.238 MDL Number: MFCD00037927 InChI Key: QQJXZVKXNSFHRI-UHFFFAOYSA-N Synonym: n6-benzoyladenine,n-7h-purin-6-yl benzamide,n-benzoylaminopurine,n-9h-purin-6-yl benzamide,6-benzoylaminopurine,benzamide, n-1h-purin-6-yl,6-benzamidopurine,adenine,6n-benzoyl,phenyl-n-purin-6-ylcarboxamide,n-benzoyladenine PubChem CID: 97075 IUPAC Name: N-(7H-purin-6-yl)benzamide SMILES: C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2NC=N3
| PubChem CID | 97075 |
|---|---|
| CAS | 4005-49-6 |
| Molecular Weight (g/mol) | 239.238 |
| MDL Number | MFCD00037927 |
| SMILES | C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2NC=N3 |
| Synonym | n6-benzoyladenine,n-7h-purin-6-yl benzamide,n-benzoylaminopurine,n-9h-purin-6-yl benzamide,6-benzoylaminopurine,benzamide, n-1h-purin-6-yl,6-benzamidopurine,adenine,6n-benzoyl,phenyl-n-purin-6-ylcarboxamide,n-benzoyladenine |
| IUPAC Name | N-(7H-purin-6-yl)benzamide |
| InChI Key | QQJXZVKXNSFHRI-UHFFFAOYSA-N |
| Molecular Formula | C12H9N5O |
3-Amino-5-(4-methoxyphenyl)pyrazole 98.0+%, TCI America™
CAS: 19541-95-8 Molecular Formula: C10H11N3O Molecular Weight (g/mol): 189.218 MDL Number: MFCD03093928 InChI Key: UPAGEJODHNVJNM-UHFFFAOYSA-N Synonym: 3-4-methoxyphenyl-1h-pyrazol-5-amine,5-4-methoxyphenyl-1h-pyrazol-3-amine,3-amino-5-4-methoxyphenyl pyrazole,5-amino-3-4-methoxyphenyl pyrazole,3-amino-5-4-methoxyphenyl-1h-pyrazole,5-4-methoxy-phenyl-2h-pyrazol-3-ylamine,5-amino-3-4-methoxyphenyl-1h-pyrazole,1h-pyrazol-3-amine, 5-4-methoxyphenyl,5-4-methoxyphenyl-2h-pyrazol-3-amine,5-4-methoxyphenyl-2h-pyrazol-3-ylamine PubChem CID: 2756469 IUPAC Name: 5-(4-methoxyphenyl)-1H-pyrazol-3-amine SMILES: COC1=CC=C(C=C1)C2=CC(=NN2)N
| PubChem CID | 2756469 |
|---|---|
| CAS | 19541-95-8 |
| Molecular Weight (g/mol) | 189.218 |
| MDL Number | MFCD03093928 |
| SMILES | COC1=CC=C(C=C1)C2=CC(=NN2)N |
| Synonym | 3-4-methoxyphenyl-1h-pyrazol-5-amine,5-4-methoxyphenyl-1h-pyrazol-3-amine,3-amino-5-4-methoxyphenyl pyrazole,5-amino-3-4-methoxyphenyl pyrazole,3-amino-5-4-methoxyphenyl-1h-pyrazole,5-4-methoxy-phenyl-2h-pyrazol-3-ylamine,5-amino-3-4-methoxyphenyl-1h-pyrazole,1h-pyrazol-3-amine, 5-4-methoxyphenyl,5-4-methoxyphenyl-2h-pyrazol-3-amine,5-4-methoxyphenyl-2h-pyrazol-3-ylamine |
| IUPAC Name | 5-(4-methoxyphenyl)-1H-pyrazol-3-amine |
| InChI Key | UPAGEJODHNVJNM-UHFFFAOYSA-N |
| Molecular Formula | C10H11N3O |