Vitas-M small molecule compound
2-{3-[(Z)-2-cyano-2-(5-methoxy-1H-benzimidazol-2-yl)ethenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK201873
SMILES COc1ccc2c(c1)nc([nH]2)/C(=C\c1cc(n(c1C)c1sc2c(c1C#N)CCCC2)C)/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 C26H23N5OS MW 453.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5OS/c1-15-10-17(11-18(13-27)25-29-22-9-8-19(32-3)12-23(22)30-25)16(2)31(15)26-21(14-28)20-6-4-5-7-24(20)33-26/h8-12H,4-7H2,1-3H3,(H,29,30)/b18-11-InChIKey
GAEWBMCBLHGDFI-WQRHYEAKSA-NSynonyms
2(3((Z)2cyano2(5methoxy1Hbenzimidazol2yl)ethenyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((Z)2cyano2(6methoxy1Hbenzimidazol2yl)ethenyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C(C#N)C4=NC5=C(N4)C=C(C=C5)OC
COc1ccc2c(c1)nc((nH)2)C(=Cc1cc(n(c1C)c1sc2c(c1C#N)CCCC2)C)C#N
InChI=1SC26H23N5OSc1151017(1118(1327)2529229819(323)1223(22)3025)16(2)31(15)2621(1428)20645724(20)3326h812H47H213H3(H2930)b1811
MFCD06001922
ZINC000009934934
ZINC09934934
ZINC9934934
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