Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK797918
SMILES C=CCN1C(=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 C29H22ClN3O2S2 MW 544.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN3O2S2/c1-2-16-32-28(34)26(37-29(32)36)17-22-18-33(23-9-4-3-5-10-23)31-27(22)20-12-14-24(15-13-20)35-19-21-8-6-7-11-25(21)30/h2-15,17-18H,1,16,19H2/b26-17-InChIKey
NXKXSNLJXLOJPB-ONUIUJJFSA-NSynonyms
(5Z)5((3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(prop2en1yl)2thioxo13thiazolidin4one
(5Z)5((3(4((2chlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
C=CCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)C5=CC=CC=C5)SC1=S
C=CCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)C1=O
InChI=1SC29H22ClN3O2S2c12163228(34)26(3729(32)36)17221833(2394351023)3127(22)20121424(151320)3519218671125(21)30h2151718H11619H2b2617
MFCD03417290
ZINC000002704640
ZINC2704640
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