Vitas-M small molecule compound
dicyano[3-cyano-6-hydroxy-5-(3-methylpyridinium-1-yl)-6-phenyl-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]methanide
Catalog ID
STK536177
SMILES N#C[C-](C1=C(C#N)C(C(C(N1)(O)c1ccccc1)[n+]1cccc(c1)C)c1cccs1)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 C25H19N5OS MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N5OS/c1-17-7-5-11-30(16-17)24-22(21-10-6-12-32-21)20(15-28)23(18(13-26)14-27)29-25(24,31)19-8-3-2-4-9-19/h2-12,16,22,24,29,31H,1H3InChIKey
SEORTYATEUXONQ-UHFFFAOYSA-NSynonyms
(2CYANO2(5CYANO2HYDROXY3(3METHYLPYRIDIN1IUM1YL)2PHENYL4THIOPHEN2YL34DIHYDRO1HPYRIDIN6YL)ETHENYLIDENE)AZANIDE
CC1=C(N+)(=CC=C1)C2C(C(=C(NC2(C3=CC=CC=C3)O)C(=C=(N))C#N)C#N)C4=CC=CS4
dicyano(3cyano6hydroxy5(3methylpyridinium1yl)6phenyl4(thiophen2yl)1456tetrahydropyridin2yl)methanide
dicyano(5cyano2hydroxy3methyl2phenyl4(thiophen2yl)1234tetrahydro(13bipyridin)1ium6yl)methanide
InChI=1SC25H19N5OSc117751130(1617)2422(21106123221)20(1528)23(18(1326)1427)2925(2431)198324919h2121622242931H1H3
MFCD01557127
N#C(C)(C1=C(C#N)C(C(C(N1)(O)c1ccccc1)(n+)1cccc(c1)C)c1cccs1)C#N
ZINC000033890358
ZINC000263591799
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