Vitas-M small molecule compound
ethyl (5E)-5-[3-(benzyloxy)benzylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK044863
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2cccc(c2)OCc2ccccc2)/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 C27H23NO4S MW 457.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO4S/c1-2-31-27(30)24-25(29)23(33-26(24)28-21-13-7-4-8-14-21)17-20-12-9-15-22(16-20)32-18-19-10-5-3-6-11-19/h3-17,28H,2,18H2,1H3/b23-17+InChIKey
LVVYBWJRQVEOFE-HAVVHWLPSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(c2)OCc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)C1=O)NC4=CC=CC=C4
ETHYL(5E)2ANILINO4OXO5((3PHENYLMETHOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
ETHYL(5E)5(3(BENZYLOXY)BENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC27H23NO4Sc123127(30)2425(29)23(3326(24)2821137481421)17201291522(1620)321819105361119h31728H218H21H3b2317+
MFCD03033614
STK044863
ZINC000002994887
ZINC02994887
ZINC2994887
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