Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702456
SMILES CCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCCCC)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 C29H33N3O2S2 MW 519.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S2/c1-4-6-11-16-31-28(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)34-17-7-5-2/h8-10,12-15,18-20H,4-7,11,16-17H2,1-3H3/b26-19-InChIKey
AFERCGBIALSIMR-XHPQRKPJSA-NSynonyms
(5Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3pentyl2thioxo13thiazolidin4one
(5Z)5((3(4butoxy3methylphenyl)1phenylpyrazol4yl)methylidene)3pentyl2sulfanylidene13thiazolidin4one
(Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3pentyl2thioxothiazolidin4one
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCCC)C)C4=CC=CC=C4)SC1=S
CCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCCCC)c2ccccc2)C1=O
InChI=1SC29H33N3O2S2c14611163128(33)26(3629(31)35)19232032(241298101324)3027(23)22141525(21(3)1822)3417752h81012151820H47111617H213H3b2619
MFCD02995761
ZINC000013810063
ZINC13810063
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