Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK797769
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)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/c1-2-3-4-5-6-10-21-37-33(39)31(42-34(37)41)22-27-23-38(29-11-8-7-9-12-29)36-32(27)26-15-19-30(20-16-26)40-24-25-13-17-28(35)18-14-25/h7-9,11-20,22-23H,2-6,10,21,24H2,1H3/b31-22-InChIKey
BDAXYBIOLGQGAP-VAMRJTSQSA-NSynonyms
(5Z)5((3(4((4chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(4((4chlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C5=CC=CC=C5)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)C1=O
InChI=1SC34H34ClN3O2S2c12345610213733(39)31(4234(37)41)22272338(29118791229)3632(27)26151930(201626)402425131728(35)181425h7911202223H26102124H21H3b3122
MFCD03417152
ZINC000100837889
ZINC100837889
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