Vitas-M small molecule compound
(5Z)-5-{2-[2-(3,4-dimethylphenoxy)ethoxy]-5-nitrobenzylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK060280
SMILES CCN1C(=S)S/C(=C\c2cc(ccc2OCCOc2ccc(c(c2)C)C)[N+](=O)[O-])/C1=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 C22H22N2O5S2 MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5S2/c1-4-23-21(25)20(31-22(23)30)13-16-12-17(24(26)27)6-8-19(16)29-10-9-28-18-7-5-14(2)15(3)11-18/h5-8,11-13H,4,9-10H2,1-3H3/b20-13-InChIKey
PGKZYWFELDFXGV-MOSHPQCFSA-NSynonyms
(5Z)5((2(2(34DIMETHYLPHENOXY)ETHOXY)5NITROPHENYL)METHYLIDENE)3ETHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(2(2(34DIMETHYLPHENOXY)ETHOXY)5NITROBENZYLIDENE)3ETHYL2THIOXO13THIAZOLIDIN4ONE
CCN1C(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))OCCOC3=CC(=C(C=C3)C)C)SC1=S
CCN1C(=S)SC(=Cc2cc(ccc2OCCOc2ccc(c(c2)C)C)(N+)(=O)(O))C1=O
InChI=1SC22H22N2O5S2c142321(25)20(3122(23)30)13161217(24(26)27)6819(16)2910928187514(2)15(3)1118h581113H4910H213H3b2013
MFCD03227527
STK060280
ZINC000009553479
ZINC09553479
ZINC9553479
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