Vitas-M small molecule compound
(5Z)-5-({3-[3-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702957
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OC(C)C)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 C31H37N3O2S2 MW 547.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3O2S2/c1-5-6-7-8-9-13-18-33-30(35)28(38-31(33)37)20-25-21-34(26-14-11-10-12-15-26)32-29(25)24-16-17-27(23(4)19-24)36-22(2)3/h10-12,14-17,19-22H,5-9,13,18H2,1-4H3/b28-20-InChIKey
BLGORGXDBIUPDO-RRAHZORUSA-NSynonyms
(5Z)5((3(3methyl4(propan2yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(3methyl4propan2yloxyphenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
(Z)5((3(4isopropoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3octyl2thioxothiazolidin4one
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC(C)C)C)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OC(C)C)c2ccccc2)C1=O
InChI=1SC31H37N3O2S2c15678913183330(35)28(3831(33)37)20252134(26141110121526)3229(25)24161727(23(4)1924)3622(2)3h101214171922H591318H214H3b2820
MFCD02996108
ZINC000100792763
ZINC100792763
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