Vitas-M small molecule compound
ethyl (5Z)-2-{[(2-chlorophenyl)carbonyl]amino}-5-{[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL416070
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(o2)c2ccc(cc2Cl)Cl)/C1=O)NC(=O)c1ccccc1Cl
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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 C25H16Cl3NO5S MW 548.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16Cl3NO5S/c1-2-33-25(32)21-22(30)20(35-24(21)29-23(31)16-5-3-4-6-17(16)27)12-14-8-10-19(34-14)15-9-7-13(26)11-18(15)28/h3-12H,2H2,1H3,(H,29,31)/b20-12-InChIKey
HVEGVCWVFSYFTE-NDENLUEZSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)C1=O)NC(=O)C4=CC=CC=C4Cl
CCOC(=O)C1=C(SC(=Cc2ccc(o2)c2ccc(cc2Cl)Cl)C1=O)NC(=O)c1ccccc1Cl
ethyl(5Z)2(((2chlorophenyl)carbonyl)amino)5((5(24dichlorophenyl)furan2yl)methylidene)4oxo45dihydrothiophene3carboxylate
ethyl(5Z)2((2chlorobenzoyl)amino)5((5(24dichlorophenyl)furan2yl)methylidene)4oxothiophene3carboxylate
InChI=1SC25H16Cl3NO5Sc123325(32)2122(30)20(3524(21)2923(31)16534617(16)27)121481019(3414)159713(26)1118(15)28h312H2H21H3(H2931)b2012
MFCD30706936
ZINC000220957995
ZINC220957995
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