Vitas-M small molecule compound
dicyano[3-cyano-6-cyclopropyl-6-hydroxy-5-(2-methylpyridinium-1-yl)-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl]methanide
Catalog ID
STK667981
SMILES N#C[C-](C1=C(C#N)C(C(C(N1)(O)C1CC1)[n+]1ccccc1C)c1ccccc1)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 C24H21N5O MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O/c1-16-7-5-6-12-29(16)23-21(17-8-3-2-4-9-17)20(15-27)22(18(13-25)14-26)28-24(23,30)19-10-11-19/h2-9,12,19,21,23,28,30H,10-11H2,1H3InChIKey
BHQKVVGNCAIGEQ-UHFFFAOYSA-NSynonyms
(2CYANO2(5CYANO2CYCLOPROPYL2HYDROXY3(2METHYLPYRIDIN1IUM1YL)4PHENYL34DIHYDRO1HPYRIDIN6YL)ETHENYLIDENE)AZANIDE
CC1=CC=CC=(N+)1C2C(C(=C(NC2(C3CC3)O)C(=C=(N))C#N)C#N)C4=CC=CC=C4
dicyano(3cyano6cyclopropyl6hydroxy5(2methylpyridinium1yl)4phenyl1456tetrahydropyridin2yl)methanide
InChI=1SC24H21N5Oc1167561229(16)2321(178324917)20(1527)22(18(1325)1426)2824(2330)19101119h29121921232830H1011H21H3
MFCD00741485
N#C(C)(C1=C(C#N)C(C(C(N1)(O)C1CC1)(n+)1ccccc1C)c1ccccc1)C#N
ZINC000033646009
ZINC000263592102
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