Vitas-M small molecule compound
(5Z)-5-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK706556
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCC=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 C31H35N3O2S2 MW 545.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O2S2/c1-4-6-7-8-9-13-18-33-30(35)28(38-31(33)37)21-25-22-34(26-14-11-10-12-15-26)32-29(25)24-16-17-27(23(3)20-24)36-19-5-2/h5,10-12,14-17,20-22H,2,4,6-9,13,18-19H2,1,3H3/b28-21-InChIKey
ATPCFFKWBPXIHS-HFTWOUSFSA-NSynonyms
(5Z)5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(3methyl4prop2enoxyphenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
(Z)5((3(4(allyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3octyl2thioxothiazolidin4one
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC=C)C)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCC=C)c2ccccc2)C1=O
InChI=1SC31H35N3O2S2c14678913183330(35)28(3831(33)37)21252234(26141110121526)3229(25)24161727(23(3)2024)361952h5101214172022H2469131819H213H3b2821
MFCD02995616
ZINC000100791462
ZINC100791462
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