Vitas-M small molecule compound
3-cyano-4-[4-(dimethylamino)phenyl]-6-oxo-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
Catalog ID
STK085750
SMILES N#CC1=C([O-])NC(=O)C(C1c1ccc(cc1)N(C)C)[n+]1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H18N4O2 MW 334.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O2/c1-22(2)14-8-6-13(7-9-14)16-15(12-20)18(24)21-19(25)17(16)23-10-4-3-5-11-23/h3-11,16-17H,1-2H3,(H-,21,24,25)InChIKey
HHIWBSAJJLGZPZ-UHFFFAOYSA-NSynonyms
3cyano4(4(dimethylamino)phenyl)6oxo5(pyridinium1yl)1456tetrahydropyridin2olate
5cyano4(4(dimethylamino)phenyl)2oxo3pyridin1ium1yl34dihydro1Hpyridin6olate
5CYANO4(4DIMETHYLAMINOPHENYL)2OXO3PYRIDIN1IUM1YL34DIHYDRO1HPYRIDIN6OLATE
CN(C)C1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)(O))(N+)3=CC=CC=C3
InChI=1SC19H18N4O2c122(2)148613(7914)1615(1220)18(24)2119(25)17(16)23104351123h3111617H12H3(H212425)
MFCD08676444
N#CC1=C((O))NC(=O)C(C1c1ccc(cc1)N(C)C)(n+)1ccccc1
STK085750
ZINC000004663299
ZINC000004663303
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