Vitas-M small molecule compound
(5Z)-3-cyclopentyl-5-[(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK811477
SMILES Clc1ccc(c(c1)Cl)COc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCC1)c1ccccc1
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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 C31H25Cl2N3O2S2 MW 606.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25Cl2N3O2S2/c32-23-13-10-21(27(33)17-23)19-38-26-14-11-20(12-15-26)29-22(18-35(34-29)24-6-2-1-3-7-24)16-28-30(37)36(31(39)40-28)25-8-4-5-9-25/h1-3,6-7,10-18,25H,4-5,8-9,19H2/b28-16-InChIKey
PZIVPFOJVWHCCR-NTFVMDSBSA-NSynonyms
(5Z)3cyclopentyl5((3(4((24dichlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3CYCLOPENTYL5((3(4((24DICHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
C1CCC(C1)N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=C(C=C(C=C5)Cl)Cl)C6=CC=CC=C6)SC2=S
Clc1ccc(c(c1)Cl)COc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCC1)c1ccccc1
InChI=1SC31H25Cl2N3O2S2c3223131021(27(33)1723)193826141120(121526)2922(1835(3429)246213724)162830(37)36(31(39)4028)25845925h1367101825H458919H2b2816
MFCD06264864
ZINC000097946444
ZINC97946444
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