Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK797920
SMILES S=C1S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)/C(=O)N1C1CCCCC1
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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 C32H28ClN3O2S2 MW 586.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28ClN3O2S2/c33-28-14-8-7-9-23(28)21-38-27-17-15-22(16-18-27)30-24(20-35(34-30)25-10-3-1-4-11-25)19-29-31(37)36(32(39)40-29)26-12-5-2-6-13-26/h1,3-4,7-11,14-20,26H,2,5-6,12-13,21H2/b29-19-InChIKey
HXXDWPTZOFNBDB-CEUNXORHSA-NSynonyms
(5Z)5((3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3cyclohexyl2thioxo13thiazolidin4one
(5Z)5((3(4((2CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3CYCLOHEXYL2SULFANYLIDENE13THIAZOLIDIN4ONE
C1CCC(CC1)N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=CC=C5Cl)C6=CC=CC=C6)SC2=S
InChI=1SC32H28ClN3O2S2c33281487923(28)213827171522(161827)3024(2035(3430)25103141125)192931(37)36(32(39)4029)26125261326h134711142026H256121321H2b2919
MFCD03417291
S=C1SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)C(=O)N1C1CCCCC1
ZINC000100838040
ZINC100838040
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