Vitas-M small molecule compound

(5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(2-methoxyethyl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK797948
SMILES COCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)/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 C29H24ClN3O3S2 MW 562.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN3O3S2/c1-35-16-15-32-28(34)26(38-29(32)37)17-22-18-33(23-8-3-2-4-9-23)31-27(22)20-11-13-24(14-12-20)36-19-21-7-5-6-10-25(21)30/h2-14,17-18H,15-16,19H2,1H3/b26-17-
InChIKey
WGQUOOAPJYSRAJ-ONUIUJJFSA-N
Synonyms

(5Z)5((3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(2methoxyethyl)2thioxo13thiazolidin4one
(5Z)5((3(4((2chlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3(2methoxyethyl)2sulfanylidene13thiazolidin4one
COCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)C5=CC=CC=C5)SC1=S
COCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)C1=O
InChI=1SC29H24ClN3O3S2c13516153228(34)26(3829(32)37)17221833(238324923)3127(22)20111324(141220)3619217561025(21)30h2141718H151619H21H3b2617
MFCD03417297
ZINC000100838055
ZINC100838055

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Available files

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