Vitas-M small molecule compound
(5Z)-5-{2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-nitrobenzylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK076265
SMILES CCN1C(=S)S/C(=C\c2cc(ccc2OCCOc2ccc(c(c2)C)Cl)[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 C21H19ClN2O5S2 MW 478.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O5S2/c1-3-23-20(25)19(31-21(23)30)12-14-11-15(24(26)27)4-7-18(14)29-9-8-28-16-5-6-17(22)13(2)10-16/h4-7,10-12H,3,8-9H2,1-2H3/b19-12-InChIKey
WOMBENPLNYRXQF-UNOMPAQXSA-NSynonyms
(5Z)5((2(2(4CHLORO3METHYLPHENOXY)ETHOXY)5NITROPHENYL)METHYLIDENE)3ETHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(2(2(4CHLORO3METHYLPHENOXY)ETHOXY)5NITROBENZYLIDENE)3ETHYL2THIOXO13THIAZOLIDIN4ONE
CCN1C(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))OCCOC3=CC(=C(C=C3)Cl)C)SC1=S
CCN1C(=S)SC(=Cc2cc(ccc2OCCOc2ccc(c(c2)C)Cl)(N+)(=O)(O))C1=O
InChI=1SC21H19ClN2O5S2c132320(25)19(3121(23)30)12141115(24(26)27)4718(14)299828165617(22)13(2)1016h471012H389H212H3b1912
MFCD02923674
STK076265
ZINC000002863908
ZINC02863908
ZINC2863908
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