Vitas-M small molecule compound
ethyl (5E)-5-[3-(benzyloxy)benzylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158411
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)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 C28H25NO5S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO5S/c1-3-33-28(31)25-26(30)24(35-27(25)29-21-12-14-22(32-2)15-13-21)17-20-10-7-11-23(16-20)34-18-19-8-5-4-6-9-19/h4-17,29H,3,18H2,1-2H3/b24-17+InChIKey
WQBCUAUAOYNPQB-JJIBRWJFSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2cccc(c2)OCc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)C1=O)NC4=CC=C(C=C4)OC
ETHYL(5E)2(4METHOXYANILINO)4OXO5((3PHENYLMETHOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
ETHYL(5E)5(3(BENZYLOXY)BENZYLIDENE)2((4METHOXYPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC28H25NO5Sc133328(31)2526(30)24(3527(25)2921121422(322)151321)17201071123(1620)3418198546919h41729H318H212H3b2417+
MFCD08679383
ZINC000002924935
ZINC02924935
ZINC2924935
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