Vitas-M small molecule compound
ethyl (5Z)-5-{2-[(4-methylbenzyl)oxy]benzylidene}-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374711
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2ccccc2OCc2ccc(cc2)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)30-23-15-11-20(3)12-16-23)17-22-7-5-6-8-24(22)34-18-21-13-9-19(2)10-14-21/h5-17,30H,4,18H2,1-3H3/b25-17-InChIKey
NSYBLKXVDAUXQK-UQQQWYQISA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2ccccc2OCc2ccc(cc2)C)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=C2OCC3=CC=C(C=C3)C)C1=O)NC4=CC=C(C=C4)C
ETHYL(5Z)2(4METHYLANILINO)5((2((4METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(2((4methylbenzyl)oxy)benzylidene)2((4methylphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(2((4METHYLBENZYL)OXY)BENZYLIDENE)4OXO2(4TOLUIDINO)45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC29H27NO4Sc143329(32)2627(31)25(3528(26)3023151120(3)121623)1722756824(22)34182113919(2)101421h51730H418H213H3b2517
MFCD02221504
ZINC000006378682
ZINC06378682
ZINC6378682
Check stock
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Check stock on Vitas-MAvailable files
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