Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK797947
SMILES CCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)/C1=O
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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 C31H28ClN3O2S2 MW 574.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O2S2/c1-2-3-9-18-34-30(36)28(39-31(34)38)19-24-20-35(25-11-5-4-6-12-25)33-29(24)22-14-16-26(17-15-22)37-21-23-10-7-8-13-27(23)32/h4-8,10-17,19-20H,2-3,9,18,21H2,1H3/b28-19-InChIKey
GJWBIXPQIGWDPX-USHMODERSA-NSynonyms
(5Z)5((3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3pentyl2thioxo13thiazolidin4one
(5Z)5((3(4((2chlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3pentyl2sulfanylidene13thiazolidin4one
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)C5=CC=CC=C5)SC1=S
CCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)C1=O
InChI=1SC31H28ClN3O2S2c1239183430(36)28(3931(34)38)19242035(25115461225)3329(24)22141626(171522)37212310781327(23)32h4810171920H2391821H21H3b2819
MFCD03417296
ZINC000100838053
ZINC100838053
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