Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799044
SMILES CCCCCCCCN1C(=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 C34H34ClN3O2S2 MW 616.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34ClN3O2S2/c1-2-3-4-5-6-12-21-37-33(39)31(42-34(37)41)22-27-23-38(28-14-8-7-9-15-28)36-32(27)25-17-19-29(20-18-25)40-24-26-13-10-11-16-30(26)35/h7-11,13-20,22-23H,2-6,12,21,24H2,1H3/b31-22-InChIKey
PZOIZXZADRNCAO-VAMRJTSQSA-NSynonyms
(5Z)5((3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(4((2chlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)C5=CC=CC=C5)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)C1=O
InChI=1SC34H34ClN3O2S2c12345612213733(39)31(4234(37)41)22272338(28148791528)3632(27)25171929(201825)4024261310111630(26)35h71113202223H26122124H21H3b3122
MFCD03462225
ZINC000097946229
ZINC97946229
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