Vitas-M small molecule compound
ethyl (5Z)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-{3,5-dichloro-4-[(4-methylbenzyl)oxy]benzylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL380530
SMILES CCOC(=O)C1=C(S/C(=C\c2cc(Cl)c(c(c2)Cl)OCc2ccc(cc2)C)/C1=O)NC(=O)c1ccc(cc1)C(C)(C)C
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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 C33H31Cl2NO5S MW 624.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31Cl2NO5S/c1-6-40-32(39)27-28(37)26(42-31(27)36-30(38)22-11-13-23(14-12-22)33(3,4)5)17-21-15-24(34)29(25(35)16-21)41-18-20-9-7-19(2)8-10-20/h7-17H,6,18H2,1-5H3,(H,36,38)/b26-17-InChIKey
DQOFVGSRYAADPI-ONUIUJJFSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC(=C(C(=C2)Cl)OCC3=CC=C(C=C3)C)Cl)C1=O)NC(=O)C4=CC=C(C=C4)C(C)(C)C
CCOC(=O)C1=C(SC(=Cc2cc(Cl)c(c(c2)Cl)OCc2ccc(cc2)C)C1=O)NC(=O)c1ccc(cc1)C(C)(C)C
ethyl(5Z)2(((4tertbutylphenyl)carbonyl)amino)5(35dichloro4((4methylbenzyl)oxy)benzylidene)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)2((4TERTBUTYLBENZOYL)AMINO)5((35DICHLORO4((4METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL2((4TERTBUTYLBENZOYL)AMINO)5(35DICHLORO4((4METHYLBENZYL)OXY)BENZYLIDENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC33H31Cl2NO5Sc164032(39)2728(37)26(4231(27)3630(38)22111323(141222)33(34)5)17211524(34)29(25(35)1621)4118209719(2)81020h717H618H215H3(H3638)b2617
MFCD03785045
ZINC000008400739
ZINC08400739
ZINC8400739
Check stock
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Check stock on Vitas-MAvailable files
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