Vitas-M small molecule compound
(5Z)-3-(butan-2-yl)-5-[(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798534
SMILES CCC(N1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccc(cc2)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 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(25-7-5-4-6-8-25)32-28(23)22-11-15-26(16-12-22)36-19-21-9-13-24(31)14-10-21/h4-18,20H,3,19H2,1-2H3/b27-17-InChIKey
JNMMZKRMRGUNJV-PKAZHMFMSA-NSynonyms
(5Z)3(butan2yl)5((3(4((4chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3butan2yl5((3(4((4chlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCC(C)N1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C5=CC=CC=C5)SC1=S
CCC(N1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)C1=O)C
InChI=1SC30H26ClN3O2S2c1320(2)3429(35)27(3830(34)37)17231833(257546825)3228(23)22111526(161222)36192191324(31)141021h41820H319H212H3b2717
MFCD03417737
ZINC000002668333
ZINC000002668335
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