Vitas-M small molecule compound
ethyl (5Z)-5-[2-(benzyloxy)benzylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374744
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C\c2ccccc2OCc2ccccc2)/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)29-21-13-15-22(32-2)16-14-21)17-20-11-7-8-12-23(20)34-18-19-9-5-4-6-10-19/h4-17,29H,3,18H2,1-2H3/b24-17-InChIKey
CEXGUFJZZXZEPZ-ULJHMMPZSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2ccccc2OCc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=C2OCC3=CC=CC=C3)C1=O)NC4=CC=C(C=C4)OC
ETHYL(5Z)2(4METHOXYANILINO)4OXO5((2PHENYLMETHOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
ethyl(5Z)5(2(benzyloxy)benzylidene)2((4methoxyphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(2(BENZYLOXY)BENZYLIDENE)2(4METHOXYANILINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC28H25NO5Sc133328(31)2526(30)24(3527(25)2921131522(322)161421)172011781223(20)34181995461019h41729H318H212H3b2417
MFCD02221557
ZINC000006378686
ZINC06378686
ZINC6378686
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