Vitas-M small molecule compound
3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate
Catalog ID
STK526663
SMILES N#CC1=C([O-])NC(=O)C(C1c1ccccc1C(F)(F)F)[n+]1ccc(cc1)c1ccncc1
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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 C23H15F3N4O2 MW 436.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15F3N4O2/c24-23(25,26)18-4-2-1-3-16(18)19-17(13-27)21(31)29-22(32)20(19)30-11-7-15(8-12-30)14-5-9-28-10-6-14/h1-12,19-20H,(H-,29,31,32)InChIKey
IBRYOUYRFLHPIA-UHFFFAOYSA-NSynonyms
3cyano6oxo5(4(pyridin4yl)pyridinium1yl)4(2(trifluoromethyl)phenyl)1456tetrahydropyridin2olate
5CYANO2OXO3(4PYRIDIN4YLPYRIDIN1IUM1YL)4(2(TRIFLUOROMETHYL)PHENYL)34DIHYDRO1HPYRIDIN6OLATE
5cyano2oxo4(2(trifluoromethyl)phenyl)1234tetrahydro(3144terpyridin)1ium6olate
C1=CC=C(C(=C1)C2C(C(=O)NC(=C2C#N)(O))(N+)3=CC=C(C=C3)C4=CC=NC=C4)C(F)(F)F
InChI=1SC23H15F3N4O2c2423(2526)18421316(18)1917(1327)21(31)2922(32)20(19)3011715(81230)14592810614h1121920H(H293132)
MFCD01554712
N#CC1=C((O))NC(=O)C(C1c1ccccc1C(F)(F)F)(n+)1ccc(cc1)c1ccncc1
ZINC000008926463
ZINC000013136314
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