Vitas-M small molecule compound
N-{2-[(E)-1-cyano-2-(2-methyl-2H-chromen-3-yl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl}-4-methylbenzamide
Catalog ID
STK817217
SMILES N#C/C(=C\C1=Cc2ccccc2OC1C)/c1sc(c(n1)c1ccc(cc1)C)NC(=O)c1ccc(cc1)C
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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 C31H25N3O2S MW 503.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N3O2S/c1-19-8-12-22(13-9-19)28-31(34-29(35)23-14-10-20(2)11-15-23)37-30(33-28)26(18-32)17-25-16-24-6-4-5-7-27(24)36-21(25)3/h4-17,21H,1-3H3,(H,34,35)/b26-17+InChIKey
IXXPQQIIZZAHSF-YZSQISJMSA-NSynonyms
CC1C(=CC2=CC=CC=C2O1)C=C(C#N)C3=NC(=C(S3)NC(=O)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C
InChI=1SC31H25N3O2Sc11981222(13919)2831(3429(35)23141020(2)111523)3730(3328)26(1832)17251624645727(24)3621(25)3h41721H13H3(H3435)b2617+
MFCD03531310
N#CC(=CC1=Cc2ccccc2OC1C)c1sc(c(n1)c1ccc(cc1)C)NC(=O)c1ccc(cc1)C
N(2((1E)1CYANO2(2METHYL(2HCHROMEN3YL))VINYL)4(4METHYLPHENYL)(13THIAZOL5YL))(4METHYLPHENYL)CARBOXAMIDE
N(2((E)1cyano2(2methyl2Hchromen3yl)ethenyl)4(4methylphenyl)13thiazol5yl)4methylbenzamide
ZINC000016733985
ZINC000016733988
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