Vitas-M small molecule compound
ethyl (5Z)-5-[4-(2-methoxy-2-oxoethoxy)benzylidene]-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL371576
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(cc2)OCC(=O)OC)/C1=O)NC(=O)c1ccc(cc1)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 C25H23NO7S MW 481.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23NO7S/c1-4-32-25(30)21-22(28)19(13-16-7-11-18(12-8-16)33-14-20(27)31-3)34-24(21)26-23(29)17-9-5-15(2)6-10-17/h5-13H,4,14H2,1-3H3,(H,26,29)/b19-13-InChIKey
XBYKCSBFCKXHAL-UYRXBGFRSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)OCC(=O)OC)C1=O)NC(=O)C3=CC=C(C=C3)C
CCOC(=O)C1=C(SC(=Cc2ccc(cc2)OCC(=O)OC)C1=O)NC(=O)c1ccc(cc1)C
ETHYL(5Z)5((4(2METHOXY2OXOETHOXY)PHENYL)METHYLIDENE)2((4METHYLBENZOYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(4(2methoxy2oxoethoxy)benzylidene)2(((4methylphenyl)carbonyl)amino)4oxo45dihydrothiophene3carboxylate
InChI=1SC25H23NO7Sc143225(30)2122(28)19(131671118(12816)331420(27)313)3424(21)2623(29)179515(2)61017h513H414H213H3(H2629)b1913
MFCD03712329
ZINC000006227914
ZINC06227914
ZINC6227914
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