Vitas-M small molecule compound
(5Z)-3-cyclohexyl-5-[(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK811481
SMILES Clc1ccc(c(c1)Cl)COc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCCC1)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 C32H27Cl2N3O2S2 MW 620.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27Cl2N3O2S2/c33-24-14-11-22(28(34)18-24)20-39-27-15-12-21(13-16-27)30-23(19-36(35-30)25-7-3-1-4-8-25)17-29-31(38)37(32(40)41-29)26-9-5-2-6-10-26/h1,3-4,7-8,11-19,26H,2,5-6,9-10,20H2/b29-17-InChIKey
HNRBQHWTXQPCTO-RHANQZHGSA-NSynonyms
(5Z)3cyclohexyl5((3(4((24dichlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3CYCLOHEXYL5((3(4((24DICHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
C1CCC(CC1)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)C1CCCCC1)c1ccccc1
InChI=1SC32H27Cl2N3O2S2c3324141122(28(34)1824)203927151221(131627)3023(1936(3530)257314825)172931(38)37(32(40)4129)2695261026h13478111926H25691020H2b2917
MFCD06264867
ZINC000097946447
ZINC97946447
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