Vitas-M small molecule compound
(4E)-2-(2,4-dimethylphenyl)-5-methyl-4-({[4-(piperidin-1-ylsulfonyl)phenyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295483
SMILES Cc1ccc(c(c1)C)N1N=C(/C(=C\Nc2ccc(cc2)S(=O)(=O)N2CCCCC2)/C1=O)C
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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 C24H28N4O3S MW 452.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O3S/c1-17-7-12-23(18(2)15-17)28-24(29)22(19(3)26-28)16-25-20-8-10-21(11-9-20)32(30,31)27-13-5-4-6-14-27/h7-12,15-16,25H,4-6,13-14H2,1-3H3/b22-16+InChIKey
HVARKFFXFLPRFD-CJLVFECKSA-NSynonyms
(4E)2(24dimethylphenyl)5methyl4(((4(piperidin1ylsulfonyl)phenyl)amino)methylidene)24dihydro3Hpyrazol3one
(4E)2(24dimethylphenyl)5methyl4((4piperidin1ylsulfonylanilino)methylidene)pyrazol3one
CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C(=N2)C)C
Cc1ccc(c(c1)C)N1N=C(C(=CNc2ccc(cc2)S(=O)(=O)N2CCCCC2)C1=O)C
InChI=1SC24H28N4O3Sc11771223(18(2)1517)2824(29)22(19(3)2628)16252081021(11920)32(3031)27135461427h712151625H461314H213H3b2216+
MFCD00606640
ZINC000095471033
ZINC95471033
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