Vitas-M small molecule compound
(5Z)-3-butyl-5-{[1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK808897
SMILES CCCCN1C(=S)S/C(=C\c2cn(nc2c2c(C)cc(cc2C)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 C26H27N3OS2 MW 461.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3OS2/c1-5-6-12-28-25(30)22(32-26(28)31)15-20-16-29(21-10-8-7-9-11-21)27-24(20)23-18(3)13-17(2)14-19(23)4/h7-11,13-16H,5-6,12H2,1-4H3/b22-15-InChIKey
LGFAYKQFKPIQLA-JCMHNJIXSA-NSynonyms
(5Z)3butyl5((1phenyl3(246trimethylphenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BUTYL5((1PHENYL3(246TRIMETHYLPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3C)C)C)C4=CC=CC=C4)SC1=S
CCCCN1C(=S)SC(=Cc2cn(nc2c2c(C)cc(cc2C)C)c2ccccc2)C1=O
InChI=1SC26H27N3OS2c156122825(30)22(3226(28)31)15201629(21108791121)2724(20)2318(3)1317(2)1419(23)4h7111316H5612H214H3b2215
MFCD02711253
ZINC000002672557
ZINC02672557
ZINC2672557
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