Vitas-M small molecule compound
2-[(5E)-5-{2-[(4-methylbenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK926416
SMILES CCC(N1C(=S)S/C(=C/c2ccccc2OCc2ccc(cc2)C)/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 C22H21NO4S2 MW 427.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4S2/c1-3-17(21(25)26)23-20(24)19(29-22(23)28)12-16-6-4-5-7-18(16)27-13-15-10-8-14(2)9-11-15/h4-12,17H,3,13H2,1-2H3,(H,25,26)/b19-12+InChIKey
WHBXWRIONMPOQF-XDHOZWIPSA-NSynonyms
2((5E)5((2((4METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
2((5E)5(2((4methylbenzyl)oxy)benzylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
CCC(C(=O)O)N1C(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)C)SC1=S
CCC(N1C(=S)SC(=Cc2ccccc2OCc2ccc(cc2)C)C1=O)C(=O)O
InChI=1SC22H21NO4S2c1317(21(25)26)2320(24)19(2922(23)28)1216645718(16)27131510814(2)91115h41217H313H212H3(H2526)b1912+
MFCD18175941
ZINC000026771460
ZINC000026771461
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