Vitas-M small molecule compound
(5Z)-3-octyl-5-({1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702674
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)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 C30H33N3O2S2 MW 531.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O2S2/c1-3-5-6-7-8-12-19-32-29(34)27(37-30(32)36)21-24-22-33(25-13-10-9-11-14-25)31-28(24)23-15-17-26(18-16-23)35-20-4-2/h4,9-11,13-18,21-22H,2-3,5-8,12,19-20H2,1H3/b27-21-InChIKey
PZZYLHQRWMHIKV-MEFGMAGPSA-NSynonyms
(5Z)3octyl5((1phenyl3(4(prop2en1yloxy)phenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3octyl5((1phenyl3(4prop2enoxyphenyl)pyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)5((3(4(allyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)3octyl2thioxothiazolidin4one
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC=C)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCC=C)c2ccccc2)C1=O
InChI=1SC30H33N3O2S2c13567812193229(34)27(3730(32)36)21242233(2513109111425)3128(24)23151726(181623)352042h491113182122H2358121920H21H3b2721
MFCD02993137
ZINC000100784109
ZINC100784109
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