Vitas-M small molecule compound
ethyl (5Z)-5-[4-(benzyloxy)benzylidene]-2-[(4-ethylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374694
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)CC)S/C(=C\c2ccc(cc2)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 C29H27NO4S MW 485.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO4S/c1-3-20-10-14-23(15-11-20)30-28-26(29(32)33-4-2)27(31)25(35-28)18-21-12-16-24(17-13-21)34-19-22-8-6-5-7-9-22/h5-18,30H,3-4,19H2,1-2H3/b25-18-InChIKey
SRCFMAMAXRDVMN-BWAHOGKJSA-NSynonyms
CCC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4)S2)C(=O)OCC
CCOC(=O)C1=C(Nc2ccc(cc2)CC)SC(=Cc2ccc(cc2)OCc2ccccc2)C1=O
ETHYL(5Z)2(4ETHYLANILINO)4OXO5((4PHENYLMETHOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
ETHYL(5Z)5((4(BENZYLOXY)PHENYL)METHYLIDENE)2((4ETHYLPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(4(benzyloxy)benzylidene)2((4ethylphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL5(4(BENZYLOXY)BENZYLIDENE)2(4ETHYLANILINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC29H27NO4Sc1320101423(151120)302826(29(32)3342)27(31)25(3528)1821121624(171321)3419228657922h51830H3419H212H3b2518
MFCD02637946
ZINC000002975096
ZINC02975096
ZINC2975096
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