Vitas-M small molecule compound
dicyano[3-cyano-6-cyclopropyl-6-hydroxy-5-(2-methylpyridinium-1-yl)-4-(4-nitrophenyl)-1,4,5,6-tetrahydropyridin-2-yl]methanide
Catalog ID
STK667980
SMILES N#C[C-](C1=C(C#N)C(C(C(N1)(O)C1CC1)[n+]1ccccc1C)c1ccc(cc1)[N+](=O)[O-])C#N
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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 C24H20N6O3 MW 440.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N6O3/c1-15-4-2-3-11-29(15)23-21(16-5-9-19(10-6-16)30(32)33)20(14-27)22(17(12-25)13-26)28-24(23,31)18-7-8-18/h2-6,9-11,18,21,23,28,31H,7-8H2,1H3InChIKey
VPFRCQCGNFASQJ-UHFFFAOYSA-NSynonyms
(2CYANO2(5CYANO2CYCLOPROPYL2HYDROXY3(2METHYLPYRIDIN1IUM1YL)4(4NITROPHENYL)34DIHYDRO1HPYRIDIN6YL)ETHENYLIDENE)AZANIDE
CC1=CC=CC=(N+)1C2C(C(=C(NC2(C3CC3)O)C(=C=(N))C#N)C#N)C4=CC=C(C=C4)(N+)(=O)(O)
dicyano(3cyano6cyclopropyl6hydroxy5(2methylpyridinium1yl)4(4nitrophenyl)1456tetrahydropyridin2yl)methanide
InChI=1SC24H20N6O3c1154231129(15)2321(165919(10616)30(32)33)20(1427)22(17(1225)1326)2824(2331)187818h269111821232831H78H21H3
MFCD00741484
N#C(C)(C1=C(C#N)C(C(C(N1)(O)C1CC1)(n+)1ccccc1C)c1ccc(cc1)(N+)(=O)(O))C#N
ZINC000033385429
ZINC000061942066
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