Vitas-M small molecule compound
(5Z)-3-(butan-2-yl)-5-[(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK823849
SMILES CCC(N1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccc(cc2Cl)Cl)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 C30H25Cl2N3O2S2 MW 594.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25Cl2N3O2S2/c1-3-19(2)35-29(36)27(39-30(35)38)15-22-17-34(24-7-5-4-6-8-24)33-28(22)20-10-13-25(14-11-20)37-18-21-9-12-23(31)16-26(21)32/h4-17,19H,3,18H2,1-2H3/b27-15-InChIKey
ZZTWOBOJNYKEKW-DICXZTSXSA-NSynonyms
(5Z)3(butan2yl)5((3(4((24dichlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3butan2yl5((3(4((24dichlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCC(C)N1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5)SC1=S
CCC(N1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2Cl)Cl)c2ccccc2)C1=O)C
InChI=1SC30H25Cl2N3O2S2c1319(2)3529(36)27(3930(35)38)15221734(247546824)3328(22)20101325(141120)37182191223(31)1626(21)32h41719H318H212H3b2715
MFCD18075734
ZINC000097947204
ZINC000097947205
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