Vitas-M small molecule compound
(5E)-5-{2-[2-(3-ethyl-5-methylphenoxy)ethoxy]-5-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK017267
SMILES CCc1cc(OCCOc2ccc(cc2/C=C\2/SC(=S)NC2=O)[N+](=O)[O-])cc(c1)C
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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 C21H20N2O5S2 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S2/c1-3-14-8-13(2)9-17(10-14)27-6-7-28-18-5-4-16(23(25)26)11-15(18)12-19-20(24)22-21(29)30-19/h4-5,8-12H,3,6-7H2,1-2H3,(H,22,24,29)/b19-12+InChIKey
GLQPMZAENAYWCY-XDHOZWIPSA-NSynonyms
(5E)5((2(2(3ethyl5methylphenoxy)ethoxy)5nitrophenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)5(2(2(3ETHYL5METHYLPHENOXY)ETHOXY)5NITROBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CCC1=CC(=CC(=C1)C)OCCOC2=C(C=C(C=C2)(N+)(=O)(O))C=C3C(=O)NC(=S)S3
CCc1cc(OCCOc2ccc(cc2C=C2SC(=S)NC2=O)(N+)(=O)(O))cc(c1)C
InChI=1SC21H20N2O5S2c1314813(2)917(1014)276728185416(23(25)26)1115(18)121920(24)2221(29)3019h45812H367H212H3(H222429)b1912+
MFCD02120951
STK017267
ZINC000013940211
ZINC13940211
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