Vitas-M small molecule compound
N-(2-cyano-4,5-diethoxyphenyl)-3-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzamide
Catalog ID
STK682423
SMILES CCOc1cc(NC(=O)c2ccc(c(c2)S(=O)(=O)N2CCN(CC2)c2ccc(cc2)F)OC)c(cc1OCC)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 C29H31FN4O6S MW 582.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31FN4O6S/c1-4-39-26-16-21(19-31)24(18-27(26)40-5-2)32-29(35)20-6-11-25(38-3)28(17-20)41(36,37)34-14-12-33(13-15-34)23-9-7-22(30)8-10-23/h6-11,16-18H,4-5,12-15H2,1-3H3,(H,32,35)InChIKey
HAULZHTVLGSQDX-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C(=C1)C#N)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)OCC
InChI=1SC29H31FN4O6Sc1439261621(1931)24(1827(26)4052)3229(35)2061125(383)28(1720)41(3637)34141233(131534)239722(30)81023h6111618H451215H213H3(H3235)
MFCD03855861
N(2cyano45diethoxyphenyl)3((4(4fluorophenyl)piperazin1yl)sulfonyl)4methoxybenzamide
N(2CYANO45DIETHOXYPHENYL)3(4(4FLUOROPHENYL)PIPERAZIN1YL)SULFONYL4METHOXYBENZAMIDE
ZINC000005948397
ZINC5948397
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