Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK811485
SMILES COc1cc(CCN2C(=S)S/C(=C\c3cn(nc3c3ccc(cc3)OCc3ccc(cc3Cl)Cl)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 C36H29Cl2N3O4S2 MW 702.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29Cl2N3O4S2/c1-43-31-15-8-23(18-32(31)44-2)16-17-40-35(42)33(47-36(40)46)19-26-21-41(28-6-4-3-5-7-28)39-34(26)24-10-13-29(14-11-24)45-22-25-9-12-27(37)20-30(25)38/h3-15,18-21H,16-17,22H2,1-2H3/b33-19-InChIKey
YCFSIEOHLDZQII-APTWKGOFSA-NSynonyms
(5Z)5((3(4((24dichlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(2(34dimethoxyphenyl)ethyl)2thioxo13thiazolidin4one
(5Z)5((3(4((24DICHLOROPHENYL)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=C(C=C(C=C5)Cl)Cl)C6=CC=CC=C6)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3cn(nc3c3ccc(cc3)OCc3ccc(cc3Cl)Cl)c3ccccc3)C2=O)ccc1OC
InChI=1SC36H29Cl2N3O4S2c1433115823(1832(31)442)16174035(42)33(4736(40)46)19262141(286435728)3934(26)24101329(141124)45222591227(37)2030(25)38h3151821H161722H212H3b3319
MFCD06264871
ZINC000097946448
ZINC97946448
Check stock
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Check stock on Vitas-MAvailable files
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