Vitas-M small molecule compound
(5E)-5-{2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK036064
SMILES S=C1NC(=O)/C(=C\c2cc(ccc2OCCOc2ccc(cc2)C(C)(C)C)[N+](=O)[O-])/S1
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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 C22H22N2O5S2 MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5S2/c1-22(2,3)15-4-7-17(8-5-15)28-10-11-29-18-9-6-16(24(26)27)12-14(18)13-19-20(25)23-21(30)31-19/h4-9,12-13H,10-11H2,1-3H3,(H,23,25,30)/b19-13+InChIKey
FDHVOUJGKDQMTK-CPNJWEJPSA-NSynonyms
(5E)5((2(2(4TERTBUTYLPHENOXY)ETHOXY)5NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5(2(2(4TERTBUTYLPHENOXY)ETHOXY)5NITROBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)(N+)(=O)(O))C=C3C(=O)NC(=S)S3
InChI=1SC22H22N2O5S2c122(23)154717(8515)28101129189616(24(26)27)1214(18)131920(25)2321(30)3119h491213H1011H213H3(H232530)b1913+
MFCD02636060
S=C1NC(=O)C(=Cc2cc(ccc2OCCOc2ccc(cc2)C(C)(C)C)(N+)(=O)(O))S1
STK036064
ZINC000002961897
ZINC2961897
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