Vitas-M small molecule compound
(5Z)-3-(butan-2-yl)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798529
SMILES CCC(N1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)/C1=O)C
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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 C30H26ClN3O2S2 MW 560.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O2S2/c1-3-20(2)34-29(35)27(38-30(34)37)17-23-18-33(24-10-5-4-6-11-24)32-28(23)21-13-15-25(16-14-21)36-19-22-9-7-8-12-26(22)31/h4-18,20H,3,19H2,1-2H3/b27-17-InChIKey
GYOFZRBNJIWSIE-PKAZHMFMSA-NSynonyms
(5Z)3(butan2yl)5((3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3butan2yl5((3(4((2chlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCC(C)N1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)C5=CC=CC=C5)SC1=S
CCC(N1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)C1=O)C
InChI=1SC30H26ClN3O2S2c1320(2)3429(35)27(3830(34)37)17231833(24105461124)3228(23)21131525(161421)3619229781226(22)31h41820H319H212H3b2717
MFCD03417732
ZINC000002668323
ZINC000002668325
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