Vitas-M small molecule compound
ethyl (5E)-2-[(4-methoxyphenyl)amino]-4-oxo-5-(3-phenoxybenzylidene)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK005942
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C/c2cccc(c2)Oc2ccccc2)/C1=O
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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 C27H23NO5S MW 473.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO5S/c1-3-32-27(30)24-25(29)23(34-26(24)28-19-12-14-20(31-2)15-13-19)17-18-8-7-11-22(16-18)33-21-9-5-4-6-10-21/h4-17,28H,3H2,1-2H3/b23-17+InChIKey
RAMXPRHDWXGNRR-HAVVHWLPSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2cccc(c2)Oc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C1=O)NC4=CC=C(C=C4)OC
ETHYL(5E)2((4METHOXYPHENYL)AMINO)4OXO5(3PHENOXYBENZYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5E)2(4METHOXYANILINO)4OXO5((3PHENOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
InChI=1SC27H23NO5Sc133227(30)2425(29)23(3426(24)2819121420(312)151319)1718871122(1618)332195461021h41728H3H212H3b2317+
MFCD08049192
STK005942
ZINC000002895552
ZINC02895552
ZINC2895552
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