Vitas-M small molecule compound
methyl 2-({(2E)-2-cyano-3-[4-methoxy-3-(methoxymethyl)phenyl]prop-2-enoyl}amino)-5-phenylthiophene-3-carboxylate
Catalog ID
STK470197
SMILES COCc1cc(ccc1OC)/C=C(/C(=O)Nc1sc(cc1C(=O)OC)c1ccccc1)\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 C25H22N2O5S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5S/c1-30-15-19-12-16(9-10-21(19)31-2)11-18(14-26)23(28)27-24-20(25(29)32-3)13-22(33-24)17-7-5-4-6-8-17/h4-13H,15H2,1-3H3,(H,27,28)/b18-11+InChIKey
ZMENYHWVEYTCDN-WOJGMQOQSA-NSynonyms
COCC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)OC
COCc1cc(ccc1OC)C=C(C(=O)Nc1sc(cc1C(=O)OC)c1ccccc1)C#N
InChI=1SC25H22N2O5Sc13015191216(91021(19)312)1118(1426)23(28)272420(25(29)323)1322(3324)177546817h413H15H213H3(H2728)b1811+
methyl2(((2E)2cyano3(4methoxy3(methoxymethyl)phenyl)prop2enoyl)amino)5phenylthiophene3carboxylate
methyl2(((E)2cyano3(4methoxy3(methoxymethyl)phenyl)prop2enoyl)amino)5phenylthiophene3carboxylate
METHYL2((2E)2CYANO3(4METHOXY3(METHOXYMETHYL)PHENYL)PROP2ENOYLAMINO)5PHENYLTHIOPHENE3CARBOXYLATE
MFCD07093672
ZINC000020227823
ZINC20227823
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