Vitas-M small molecule compound
ethyl (5E)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-{4-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL380524
SMILES CCOC(=O)C1=C(S/C(=C/c2ccc(c(c2)OC)OCc2ccc(cc2)Cl)/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 C33H32ClNO6S MW 606.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32ClNO6S/c1-6-40-32(38)28-29(36)27(42-31(28)35-30(37)22-10-12-23(13-11-22)33(2,3)4)18-21-9-16-25(26(17-21)39-5)41-19-20-7-14-24(34)15-8-20/h7-18H,6,19H2,1-5H3,(H,35,37)/b27-18+InChIKey
NEVBZRTURWPVFX-OVVQPSECSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC)C1=O)NC(=O)C4=CC=C(C=C4)C(C)(C)C
CCOC(=O)C1=C(SC(=Cc2ccc(c(c2)OC)OCc2ccc(cc2)Cl)C1=O)NC(=O)c1ccc(cc1)C(C)(C)C
ethyl(5E)2(((4tertbutylphenyl)carbonyl)amino)5(4((4chlorobenzyl)oxy)3methoxybenzylidene)4oxo45dihydrothiophene3carboxylate
ethyl(5E)2((4tertbutylbenzoyl)amino)5((4((4chlorophenyl)methoxy)3methoxyphenyl)methylidene)4oxothiophene3carboxylate
InChI=1SC33H32ClNO6Sc164032(38)2829(36)27(4231(28)3530(37)22101223(131122)33(23)4)182191625(26(1721)395)41192071424(34)15820h718H619H215H3(H3537)b2718+
MFCD28951080
ZINC000103707050
ZINC103707050
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