Vitas-M small molecule compound

(4E)-4-{[(4-methylpiperazin-1-yl)amino]methylidene}-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK957795
SMILES CN1CCN(CC1)N/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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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 C21H22N6O3 MW 406.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O3/c1-24-11-13-25(14-12-24)22-15-19-20(16-5-3-2-4-6-16)23-26(21(19)28)17-7-9-18(10-8-17)27(29)30/h2-10,15,22H,11-14H2,1H3/b19-15+
InChIKey
MVHJTLJSDSLSNT-XDJHFCHBSA-N
Synonyms
420103-03-3
(4E)4(((4methylpiperazin1yl)amino)methylidene)2(4nitrophenyl)5phenyl24dihydro3Hpyrazol3one
(4E)4(((4METHYLPIPERAZIN1YL)AMINO)METHYLIDENE)2(4NITROPHENYL)5PHENYLPYRAZOL3ONE
2(4NITROPHENYL)4(((4METHYL1PIPERAZINYL)AMINO)METHYLENE)5PHENYL24DIHYDRO3HPYRAZOL3ONE
420103033
CN1CCN(CC1)NC=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))c1ccccc1
CN1CCN(CC1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4
InChI=1SC21H22N6O3c124111325(141224)22151920(165324616)2326(21(19)28)177918(10817)27(29)30h2101522H1114H21H3b1915+
MFCD01654660
ZINC000004628490
ZINC4628490

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Available files

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