Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK797974
SMILES COc1cc(CCN2C(=S)S/C(=C\c3cn(nc3c3ccc(cc3)OCc3ccccc3Cl)c3ccccc3)/C2=O)ccc1OC
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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 C36H30ClN3O4S2 MW 668.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30ClN3O4S2/c1-42-31-17-12-24(20-32(31)43-2)18-19-39-35(41)33(46-36(39)45)21-27-22-40(28-9-4-3-5-10-28)38-34(27)25-13-15-29(16-14-25)44-23-26-8-6-7-11-30(26)37/h3-17,20-22H,18-19,23H2,1-2H3/b33-21-InChIKey
NZPBMDJNEQFCTK-HWIUFGAZSA-NSynonyms
(5Z)5((3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(2(34dimethoxyphenyl)ethyl)2thioxo13thiazolidin4one
(5Z)5((3(4((2CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(2(34DIMETHOXYPHENYL)ETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=CC=C5Cl)C6=CC=CC=C6)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3cn(nc3c3ccc(cc3)OCc3ccccc3Cl)c3ccccc3)C2=O)ccc1OC
InChI=1SC36H30ClN3O4S2c14231171224(2032(31)432)18193935(41)33(4636(39)45)21272240(2894351028)3834(27)25131529(161425)4423268671130(26)37h3172022H181923H212H3b3321
MFCD03417317
ZINC000150400834
ZINC150400834
Check stock
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Check stock on Vitas-MAvailable files
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