Vitas-M small molecule compound
ethyl (5Z)-5-[2-(benzyloxy)benzylidene]-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL416068
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)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 C28H25NO4S MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO4S/c1-3-32-28(31)25-26(30)24(34-27(25)29-22-15-13-19(2)14-16-22)17-21-11-7-8-12-23(21)33-18-20-9-5-4-6-10-20/h4-17,29H,3,18H2,1-2H3/b24-17-InChIKey
BBDUNZRBGCITJK-ULJHMMPZSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2ccccc2OCc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=C2OCC3=CC=CC=C3)C1=O)NC4=CC=C(C=C4)C
ETHYL(5Z)2(4METHYLANILINO)4OXO5((2PHENYLMETHOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
ethyl(5Z)5(2(benzyloxy)benzylidene)2((4methylphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(2(BENZYLOXY)BENZYLIDENE)4OXO2(4TOLUIDINO)45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC28H25NO4Sc133228(31)2526(30)24(3427(25)2922151319(2)141622)172111781223(21)33182095461020h41729H318H212H3b2417
MFCD02800677
ZINC000008438395
ZINC08438395
ZINC8438395
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