Vitas-M small molecule compound
(5Z)-3-butyl-5-[(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK797767
SMILES CCCCN1C(=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 C30H26ClN3O2S2 MW 560.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O2S2/c1-2-3-17-33-29(35)27(38-30(33)37)18-23-19-34(25-7-5-4-6-8-25)32-28(23)22-11-15-26(16-12-22)36-20-21-9-13-24(31)14-10-21/h4-16,18-19H,2-3,17,20H2,1H3/b27-18-InChIKey
FXMUEKADEYGNAL-IMRQLAEWSA-NSynonyms
(5Z)3butyl5((3(4((4chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BUTYL5((3(4((4CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C5=CC=CC=C5)SC1=S
CCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)C1=O
InChI=1SC30H26ClN3O2S2c123173329(35)27(3830(33)37)18231934(257546825)3228(23)22111526(161222)36202191324(31)141021h4161819H231720H21H3b2718
MFCD03417150
ZINC000100837885
ZINC100837885
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