Vitas-M small molecule compound
2-[(5E)-5-{4-[(4-chlorobenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK994829
SMILES CCC(N1C(=S)S/C(=C/c2ccc(cc2)OCc2ccc(cc2)Cl)/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 C21H18ClNO4S2 MW 447.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO4S2/c1-2-17(20(25)26)23-19(24)18(29-21(23)28)11-13-5-9-16(10-6-13)27-12-14-3-7-15(22)8-4-14/h3-11,17H,2,12H2,1H3,(H,25,26)/b18-11+InChIKey
FCZRPILUJKPSST-WOJGMQOQSA-NSynonyms
2((5E)5((4((4CHLOROPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
2((5E)5(4((4chlorobenzyl)oxy)benzylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
CCC(C(=O)O)N1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)SC1=S
CCC(N1C(=S)SC(=Cc2ccc(cc2)OCc2ccc(cc2)Cl)C1=O)C(=O)O
InChI=1SC21H18ClNO4S2c1217(20(25)26)2319(24)18(2921(23)28)11135916(10613)2712143715(22)8414h31117H212H21H3(H2526)b1811+
MFCD05151412
ZINC000032694370
ZINC000032694371
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