Vitas-M small molecule compound
2-[(5E)-5-{2-[(4-chlorobenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK926418
SMILES CCC(N1C(=S)S/C(=C/c2ccccc2OCc2ccc(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/c1-2-16(20(25)26)23-19(24)18(29-21(23)28)11-14-5-3-4-6-17(14)27-12-13-7-9-15(22)10-8-13/h3-11,16H,2,12H2,1H3,(H,25,26)/b18-11+InChIKey
WZEXLTMWZDTZGG-WOJGMQOQSA-NSynonyms
2((5E)5((2((4CHLOROPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
2((5E)5(2((4chlorobenzyl)oxy)benzylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
CCC(C(=O)O)N1C(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)Cl)SC1=S
CCC(N1C(=S)SC(=Cc2ccccc2OCc2ccc(cc2)Cl)C1=O)C(=O)O
InChI=1SC21H18ClNO4S2c1216(20(25)26)2319(24)18(2921(23)28)1114534617(14)2712137915(22)10813h31116H212H21H3(H2526)b1811+
MFCD18175943
ZINC000026771464
ZINC000026771465
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