Vitas-M small molecule compound
(5Z)-3-ethyl-5-({3-[2-methyl-5-(propan-2-yl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK823032
SMILES CCN1C(=S)S/C(=C\c2cn(nc2c2cc(ccc2C)C(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 C25H25N3OS2 MW 447.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3OS2/c1-5-27-24(29)22(31-25(27)30)14-19-15-28(20-9-7-6-8-10-20)26-23(19)21-13-18(16(2)3)12-11-17(21)4/h6-16H,5H2,1-4H3/b22-14-InChIKey
CHCQIZGOAKVLOS-HMAPJEAMSA-NSynonyms
(5Z)3ethyl5((3(2methyl5(propan2yl)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3ethyl5((3(2methyl5propan2ylphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCN1C(=O)C(=CC2=CN(N=C2C3=C(C=CC(=C3)C(C)C)C)C4=CC=CC=C4)SC1=S
CCN1C(=S)SC(=Cc2cn(nc2c2cc(ccc2C)C(C)C)c2ccccc2)C1=O
InChI=1SC25H25N3OS2c152724(29)22(3125(27)30)14191528(2097681020)2623(19)211318(16(2)3)121117(21)4h616H5H214H3b2214
MFCD03463597
ZINC000027018279
ZINC27018279
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