Vitas-M small molecule compound
dicyano[3-cyano-6-cyclopropyl-4-(4-ethoxyphenyl)-6-hydroxy-5-(4-methylpyridinium-1-yl)-1,4,5,6-tetrahydropyridin-2-yl]methanide
Catalog ID
STK667982
SMILES CCOc1ccc(cc1)C1C(=C(NC(C1[n+]1ccc(cc1)C)(O)C1CC1)[C-](C#N)C#N)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 C26H25N5O2 MW 439.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O2/c1-3-33-21-8-4-18(5-9-21)23-22(16-29)24(19(14-27)15-28)30-26(32,20-6-7-20)25(23)31-12-10-17(2)11-13-31/h4-5,8-13,20,23,25,30,32H,3,6-7H2,1-2H3InChIKey
OYGBSVURHYMUAC-UHFFFAOYSA-NSynonyms
(2CYANO2(5CYANO2CYCLOPROPYL4(4ETHOXYPHENYL)2HYDROXY3(4METHYLPYRIDIN1IUM1YL)34DIHYDRO1HPYRIDIN6YL)ETHENYLIDENE)AZANIDE
CCOC1=CC=C(C=C1)C2C(C(NC(=C2C#N)C(=C=(N))C#N)(C3CC3)O)(N+)4=CC=C(C=C4)C
CCOc1ccc(cc1)C1C(=C(NC(C1(n+)1ccc(cc1)C)(O)C1CC1)(C)(C#N)C#N)C#N
dicyano(3cyano6cyclopropyl4(4ethoxyphenyl)6hydroxy5(4methylpyridinium1yl)1456tetrahydropyridin2yl)methanide
InChI=1SC26H25N5O2c1333218418(5921)2322(1629)24(19(1427)1528)3026(32206720)25(23)31121017(2)111331h458132023253032H367H212H3
MFCD00741487
ZINC000033646128
ZINC000334157407
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