Vitas-M small molecule compound
(5Z)-3-hexyl-5-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK706547
SMILES CCCCCCN1C(=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 C29H31N3O2S2 MW 517.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O2S2/c1-4-6-7-11-16-31-28(33)26(36-29(31)35)19-23-20-32(24-12-9-8-10-13-24)30-27(23)22-14-15-25(21(3)18-22)34-17-5-2/h5,8-10,12-15,18-20H,2,4,6-7,11,16-17H2,1,3H3/b26-19-InChIKey
PSOPICOSQXJAFJ-XHPQRKPJSA-NSynonyms
(5Z)3hexyl5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3hexyl5((3(3methyl4prop2enoxyphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)5((3(4(allyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3hexyl2thioxothiazolidin4one
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC=C)C)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCC=C)c2ccccc2)C1=O
InChI=1SC29H31N3O2S2c146711163128(33)26(3629(31)35)19232032(241298101324)3027(23)22141525(21(3)1822)341752h581012151820H2467111617H213H3b2619
MFCD02994719
ZINC000009435822
ZINC09435822
ZINC9435822
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