Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-cyclopentyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798292
SMILES S=C1S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)/C(=O)N1C1CCCC1
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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 C31H26ClN3O2S2 MW 572.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26ClN3O2S2/c32-27-13-7-4-8-22(27)20-37-26-16-14-21(15-17-26)29-23(19-34(33-29)24-9-2-1-3-10-24)18-28-30(36)35(31(38)39-28)25-11-5-6-12-25/h1-4,7-10,13-19,25H,5-6,11-12,20H2/b28-18-InChIKey
INSTZWKOQACBNE-VEILYXNESA-NSynonyms
(5Z)5((3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3cyclopentyl2thioxo13thiazolidin4one
(5Z)5((3(4((2CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3CYCLOPENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
C1CCC(C1)N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=CC=C5Cl)C6=CC=CC=C6)SC2=S
InChI=1SC31H26ClN3O2S2c32271374822(27)203726161421(151726)2923(1934(3329)2492131024)182830(36)35(31(38)3928)2511561225h14710131925H56111220H2b2818
MFCD03417621
S=C1SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)C(=O)N1C1CCCC1
ZINC000100838526
ZINC100838526
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