Vitas-M small molecule compound
(5E)-5-{3-ethoxy-4-[3-(3-methylphenoxy)propoxy]-5-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK018986
SMILES CCOc1cc(/C=C\2/SC(=S)NC2=O)cc(c1OCCCOc1cccc(c1)C)[N+](=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 C22H22N2O6S2 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6S2/c1-3-28-18-12-15(13-19-21(25)23-22(31)32-19)11-17(24(26)27)20(18)30-9-5-8-29-16-7-4-6-14(2)10-16/h4,6-7,10-13H,3,5,8-9H2,1-2H3,(H,23,25,31)/b19-13+InChIKey
FYDHAQLAVLWLNE-CPNJWEJPSA-NSynonyms
(5E)5((3ETHOXY4(3(3METHYLPHENOXY)PROPOXY)5NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5(3ETHOXY4(3(3METHYLPHENOXY)PROPOXY)5NITROBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CCOC1=CC(=CC(=C1OCCCOC2=CC=CC(=C2)C)(N+)(=O)(O))C=C3C(=O)NC(=S)S3
CCOc1cc(C=C2SC(=S)NC2=O)cc(c1OCCCOc1cccc(c1)C)(N+)(=O)(O)
InChI=1SC22H22N2O6S2c1328181215(131921(25)2322(31)3219)1117(24(26)27)20(18)30958291674614(2)1016h4671013H3589H212H3(H232531)b1913+
MFCD02923628
STK018986
ZINC000013940268
ZINC13940268
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