Vitas-M small molecule compound
ethyl (5E)-2-[(4-methoxyphenyl)amino]-5-[4-(methylsulfanyl)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158409
SMILES CCOC(=O)C1=C(Nc2ccc(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 C22H21NO4S2 MW 427.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4S2/c1-4-27-22(25)19-20(24)18(13-14-5-11-17(28-3)12-6-14)29-21(19)23-15-7-9-16(26-2)10-8-15/h5-13,23H,4H2,1-3H3/b18-13+InChIKey
FEDLEKBKSTYWNV-QGOAFFKASA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2ccc(cc2)SC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)SC)C1=O)NC3=CC=C(C=C3)OC
ETHYL(5E)2((4METHOXYPHENYL)AMINO)5(4(METHYLSULFANYL)BENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5E)2(4METHOXYANILINO)5((4METHYLSULFANYLPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC22H21NO4S2c142722(25)1920(24)18(131451117(283)12614)2921(19)23157916(262)10815h51323H4H213H3b1813+
MFCD08679381
ZINC000002895340
ZINC02895340
ZINC2895340
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