Vitas-M small molecule compound
2-[(5E)-5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid
Catalog ID
STK700120
SMILES CSCCC(N1C(=S)S/C(=C/c2ccc(c(c2)OCC)O)/C1=O)C(=O)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 C17H19NO5S3 MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO5S3/c1-3-23-13-8-10(4-5-12(13)19)9-14-15(20)18(17(24)26-14)11(16(21)22)6-7-25-2/h4-5,8-9,11,19H,3,6-7H2,1-2H3,(H,21,22)/b14-9+InChIKey
WBPHXDQRAIJKJY-NTEUORMPSA-NSynonyms
(Z)2(5(3ethoxy4hydroxybenzylidene)4oxo2thioxothiazolidin3yl)4(methylthio)butanoicacid
2((5E)5((3ETHOXY4HYDROXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)4METHYLSULFANYLBUTANOICACID
2((5E)5(3ethoxy4hydroxybenzylidene)4oxo2thioxo13thiazolidin3yl)4(methylsulfanyl)butanoicacid
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C(CCSC)C(=O)O)O
CSCCC(N1C(=S)SC(=Cc2ccc(c(c2)OCC)O)C1=O)C(=O)O
InChI=1SC17H19NO5S3c132313810(4512(13)19)91415(20)18(17(24)2614)11(16(21)22)67252h45891119H367H212H3(H2122)b149+
MFCD13371124
ZINC000001786476
ZINC000001786480
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