Vitas-M small molecule compound
ethyl (5Z)-5-{4-[(3-methylbenzyl)oxy]benzylidene}-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374706
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2ccc(cc2)OCc2cccc(c2)C)/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 C29H27NO4S MW 485.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO4S/c1-4-33-29(32)26-27(31)25(35-28(26)30-23-12-8-19(2)9-13-23)17-21-10-14-24(15-11-21)34-18-22-7-5-6-20(3)16-22/h5-17,30H,4,18H2,1-3H3/b25-17-InChIKey
NKEJSFJHCUDNFF-UQQQWYQISA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2ccc(cc2)OCc2cccc(c2)C)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C)C1=O)NC4=CC=C(C=C4)C
ETHYL(5Z)2((4METHYLPHENYL)AMINO)5((4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(4METHYLANILINO)5((4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(4((3methylbenzyl)oxy)benzylidene)2((4methylphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(4((3METHYLBENZYL)OXY)BENZYLIDENE)4OXO2(4TOLUIDINO)45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC29H27NO4Sc143329(32)2627(31)25(3528(26)302312819(2)91323)1721101424(151121)34182275620(3)1622h51730H418H213H3b2517
MFCD02221025
ZINC000006378662
ZINC06378662
ZINC6378662
Check stock
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Check stock on Vitas-MAvailable files
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