Vitas-M small molecule compound
(4E)-5-(4-methoxyphenyl)-4-{[(4-methylpiperazin-1-yl)amino]methylidene}-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK026612
SMILES COc1ccc(cc1)C1=NN(C(=O)/C/1=C/NN1CCN(CC1)C)c1ccc(cc1)[N+](=O)[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 C22H24N6O4 MW 436.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N6O4/c1-25-11-13-26(14-12-25)23-15-20-21(16-3-9-19(32-2)10-4-16)24-27(22(20)29)17-5-7-18(8-6-17)28(30)31/h3-10,15,23H,11-14H2,1-2H3/b20-15+InChIKey
VERRFYLHCRUUBM-HMMYKYKNSA-NSynonyms
(4E)5(4METHOXYPHENYL)4(((4METHYLPIPERAZIN1YL)AMINO)METHYLIDENE)2(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
(4E)5(4METHOXYPHENYL)4(((4METHYLPIPERAZIN1YL)AMINO)METHYLIDENE)2(4NITROPHENYL)PYRAZOL3ONE
CN1CCN(CC1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=C(C=C4)OC
COc1ccc(cc1)C1=NN(C(=O)C1=CNN1CCN(CC1)C)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H24N6O4c125111326(141225)23152021(163919(322)10416)2427(22(20)29)175718(8617)28(30)31h3101523H1114H212H3b2015+
MFCD08050085
STK026612
ZINC000009113298
ZINC9113298
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