Vitas-M small molecule compound
(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798516
SMILES S=C1S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2)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 C32H29N3O2S2 MW 551.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O2S2/c36-31-29(39-32(38)35(31)27-14-8-3-9-15-27)20-25-21-34(26-12-6-2-7-13-26)33-30(25)24-16-18-28(19-17-24)37-22-23-10-4-1-5-11-23/h1-2,4-7,10-13,16-21,27H,3,8-9,14-15,22H2/b29-20-InChIKey
RUHRCMBICMHAFH-BRPDVVIDSA-NSynonyms
(5Z)3CYCLOHEXYL5((1PHENYL3(4PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3cyclohexyl2thioxo13thiazolidin4one
C1CCC(CC1)N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=CC=C5)C6=CC=CC=C6)SC2=S
InChI=1SC32H29N3O2S2c363129(3932(38)35(31)27148391527)20252134(26126271326)3330(25)24161828(191724)372223104151123h12471013162127H389141522H2b2920
MFCD03417720
S=C1SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)C(=O)N1C1CCCCC1
ZINC000100838928
ZINC100838928
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