Vitas-M small molecule compound
(5Z)-3-pentyl-5-({1-phenyl-3-[4-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK823005
SMILES CCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)S(=O)(=O)N2CCCCC2)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 C29H32N4O3S3 MW 580.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O3S3/c1-2-3-8-19-32-28(34)26(38-29(32)37)20-23-21-33(24-11-6-4-7-12-24)30-27(23)22-13-15-25(16-14-22)39(35,36)31-17-9-5-10-18-31/h4,6-7,11-16,20-21H,2-3,5,8-10,17-19H2,1H3/b26-20-InChIKey
QLJHCCRIZRSYLP-QOMWVZHYSA-NSynonyms
(5Z)3pentyl5((1phenyl3(4(piperidin1ylsulfonyl)phenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3pentyl5((1phenyl3(4piperidin1ylsulfonylphenyl)pyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)SC1=S
CCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)S(=O)(=O)N2CCCCC2)c2ccccc2)C1=O
InChI=1SC29H32N4O3S3c1238193228(34)26(3829(32)37)20232133(24116471224)3027(23)22131525(161422)39(3536)311795101831h46711162021H2358101719H21H3b2620
MFCD03463567
ZINC000097947131
ZINC97947131
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