Vitas-M small molecule compound
2-benzyl 4-ethyl 5-({(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK804035
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)F)/C#N)sc(c1C)C(=O)OCc1ccccc1
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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 C28H22FN3O4S2 MW 547.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22FN3O4S2/c1-3-35-27(33)23-17(2)24(28(34)36-15-18-7-5-4-6-8-18)38-26(23)31-14-20(13-30)25-32-22(16-37-25)19-9-11-21(29)12-10-19/h4-12,14,16,31H,3,15H2,1-2H3/b20-14-InChIKey
HDRRCKCVFGSGIU-ZHZULCJRSA-NSynonyms
2benzyl4ethyl5(((Z)2cyano2(4(4fluorophenyl)13thiazol2yl)ethenyl)amino)3methylthiophene24dicarboxylate
2Obenzyl4Oethyl5(((Z)2cyano2(4(4fluorophenyl)13thiazol2yl)ethenyl)amino)3methylthiophene24dicarboxylate
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC2=CC=CC=C2)NC=C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)F
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc(cc2)F)C#N)sc(c1C)C(=O)OCc1ccccc1
InChI=1SC28H22FN3O4S2c133527(33)2317(2)24(28(34)3615187546818)3826(23)311420(1330)253222(163725)1991121(29)121019h412141631H315H212H3b2014
MFCD06669459
ZINC000097965052
ZINC97965052
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