Vitas-M small molecule compound
(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-cyclopentyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798517
SMILES S=C1S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2)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 C31H27N3O2S2 MW 537.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O2S2/c35-30-28(38-31(37)34(30)26-13-7-8-14-26)19-24-20-33(25-11-5-2-6-12-25)32-29(24)23-15-17-27(18-16-23)36-21-22-9-3-1-4-10-22/h1-6,9-12,15-20,26H,7-8,13-14,21H2/b28-19-InChIKey
LVRHOMPHAMLIGO-USHMODERSA-NSynonyms
(5Z)3CYCLOPENTYL5((1PHENYL3(4PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3cyclopentyl2thioxo13thiazolidin4one
C1CCC(C1)N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=CC=C5)C6=CC=CC=C6)SC2=S
InChI=1SC31H27N3O2S2c353028(3831(37)34(30)2613781426)19242033(25115261225)3229(24)23151727(181623)36212293141022h16912152026H78131421H2b2819
MFCD03417721
S=C1SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)C(=O)N1C1CCCC1
ZINC000002668312
ZINC2668312
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