Vitas-M small molecule compound
ethyl (5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-[(phenylcarbonyl)amino]-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL375000
SMILES CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc(o2)c2cccc(c2)Cl)/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 C25H18ClNO5S MW 479.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClNO5S/c1-2-31-25(30)21-22(28)20(33-24(21)27-23(29)15-7-4-3-5-8-15)14-18-11-12-19(32-18)16-9-6-10-17(26)13-16/h3-14H,2H2,1H3,(H,27,29)/b20-14-InChIKey
VDKOTDNJLQDXLX-ZHZULCJRSA-NSynonyms
CCOC(=O)C1=C(NC(=O)c2ccccc2)SC(=Cc2ccc(o2)c2cccc(c2)Cl)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(O2)C3=CC(=CC=C3)Cl)C1=O)NC(=O)C4=CC=CC=C4
ETHYL(5Z)2BENZAMIDO5((5(3CHLOROPHENYL)FURAN2YL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5((5(3chlorophenyl)furan2yl)methylidene)4oxo2((phenylcarbonyl)amino)45dihydrothiophene3carboxylate
InChI=1SC25H18ClNO5Sc123125(30)2122(28)20(3324(21)2723(29)157435815)1418111219(3218)16961017(26)1316h314H2H21H3(H2729)b2014
MFCD03722387
ZINC000006489659
ZINC06489659
ZINC6489659
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