Vitas-M small molecule compound
(5Z)-5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK822991
SMILES CCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)Br)OC)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 C25H24BrN3O2S2 MW 542.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrN3O2S2/c1-3-4-8-13-28-24(30)22(33-25(28)32)15-18-16-29(19-9-6-5-7-10-19)27-23(18)17-11-12-21(31-2)20(26)14-17/h5-7,9-12,14-16H,3-4,8,13H2,1-2H3/b22-15-InChIKey
BEOBRONTIUHHQH-JCMHNJIXSA-NSynonyms
(5Z)5((3(3bromo4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3pentyl2thioxo13thiazolidin4one
(5Z)5((3(3bromo4methoxyphenyl)1phenylpyrazol4yl)methylidene)3pentyl2sulfanylidene13thiazolidin4one
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC)Br)C4=CC=CC=C4)SC1=S
CCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)Br)OC)c2ccccc2)C1=O
InChI=1SC25H24BrN3O2S2c1348132824(30)22(3325(28)32)15181629(1996571019)2723(18)17111221(312)20(26)1417h579121416H34813H212H3b2215
MFCD03463553
ZINC000097947128
ZINC97947128
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