Vitas-M small molecule compound
ethyl (5Z)-2-{[(4-methoxyphenyl)carbonyl]amino}-5-[4-(methylsulfanyl)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL369471
SMILES CCOC(=O)C1=C(NC(=O)c2ccc(cc2)OC)S/C(=C\c2ccc(cc2)SC)/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 C23H21NO5S2 MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO5S2/c1-4-29-23(27)19-20(25)18(13-14-5-11-17(30-3)12-6-14)31-22(19)24-21(26)15-7-9-16(28-2)10-8-15/h5-13H,4H2,1-3H3,(H,24,26)/b18-13-InChIKey
XFISGAPJTOOVEK-AQTBWJFISA-NSynonyms
CCOC(=O)C1=C(NC(=O)c2ccc(cc2)OC)SC(=Cc2ccc(cc2)SC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)SC)C1=O)NC(=O)C3=CC=C(C=C3)OC
ethyl(5Z)2(((4methoxyphenyl)carbonyl)amino)5(4(methylsulfanyl)benzylidene)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)2((4METHOXYBENZOYL)AMINO)5((4METHYLSULFANYLPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC23H21NO5S2c142923(27)1920(25)18(131451117(303)12614)3122(19)2421(26)157916(282)10815h513H4H213H3(H2426)b1813
MFCD03720419
ZINC000009296121
ZINC09296121
ZINC9296121
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