Vitas-M small molecule compound
(4Z)-2-(3,4-dimethylphenyl)-5-methyl-4-({[4-(piperidin-1-ylcarbonyl)phenyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK957443
SMILES CC1=NN(C(=O)/C/1=C\Nc1ccc(cc1)C(=O)N1CCCCC1)c1ccc(c(c1)C)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 C25H28N4O2 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O2/c1-17-7-12-22(15-18(17)2)29-25(31)23(19(3)27-29)16-26-21-10-8-20(9-11-21)24(30)28-13-5-4-6-14-28/h7-12,15-16,26H,4-6,13-14H2,1-3H3/b23-16-InChIKey
OZARXSYQMZWBHW-KQWNVCNZSA-NSynonyms
329740-18-3(4Z)2(34dimethylphenyl)5methyl4(((4(piperidin1ylcarbonyl)phenyl)amino)methylidene)24dihydro3Hpyrazol3one
(4Z)2(34DIMETHYLPHENYL)5METHYL4((4(PIPERIDINE1CARBONYL)ANILINO)METHYLIDENE)PYRAZOL3ONE
329740183
CC1=C(C=C(C=C1)N2C(=O)C(=CNC3=CC=C(C=C3)C(=O)N4CCCCC4)C(=N2)C)C
CC1=NN(C(=O)C1=CNc1ccc(cc1)C(=O)N1CCCCC1)c1ccc(c(c1)C)C
InChI=1SC25H28N4O2c11771222(1518(17)2)2925(31)23(19(3)2729)16262110820(91121)24(30)28135461428h712151626H461314H213H3b2316
MFCD01178497
ZINC000005601830
ZINC05601830
ZINC5601830
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