Vitas-M small molecule compound

(4E)-5-methyl-2-(4-nitrophenyl)-4-[({2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl}amino)methylidene]-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK742013
SMILES CC1=NN(C(=O)/C/1=C/NCCN1CCN(CC1)C(=O)c1ccccc1)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 C24H26N6O4 MW 462.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N6O4/c1-18-22(24(32)29(26-18)20-7-9-21(10-8-20)30(33)34)17-25-11-12-27-13-15-28(16-14-27)23(31)19-5-3-2-4-6-19/h2-10,17,25H,11-16H2,1H3/b22-17+
InChIKey
CXXFPNWTAIRYNF-OQKWZONESA-N
Synonyms

(4E)4((2(4BENZOYLPIPERAZIN1YL)ETHYLAMINO)METHYLIDENE)5METHYL2(4NITROPHENYL)PYRAZOL3ONE
(4E)5methyl2(4nitrophenyl)4(((2(4(phenylcarbonyl)piperazin1yl)ethyl)amino)methylidene)24dihydro3Hpyrazol3one
4(((2(4BENZOYL1PIPERAZINYL)ETHYL)AMINO)METHYLENE)5METHYL2(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CNCCN1CCN(CC1)C(=O)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
CC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC24H26N6O4c11822(24(32)29(2618)207921(10820)30(33)34)1725111227131528(161427)23(31)195324619h2101725H1116H21H3b2217+
MFCD01943790
ZINC000100105630
ZINC100105630

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Available files

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