Vitas-M small molecule compound

{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}(3-methylphenyl)methanone

Catalog ID
STK079234
SMILES Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)[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 C23H25N5O3 MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O3/c1-16-5-4-6-19(13-16)23(29)26-11-9-25(10-12-26)20-7-8-21(28(30)31)22(15-20)27-18(3)14-17(2)24-27/h4-8,13-15H,9-12H2,1-3H3
InChIKey
ZSIKQRIHPPWZTO-UHFFFAOYSA-N
Synonyms

(4(3(35DIMETHYL1HPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)(3METHYLPHENYL)METHANONE
(4(3(35dimethyl1Hpyrazol1yl)4nitrophenyl)piperazin1yl)(mtolyl)methanone
(4(3(35DIMETHYLPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)(3METHYLPHENYL)METHANONE
CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4C(=CC(=N4)C)C
Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)(N+)(=O)(O)
InChI=1SC23H25N5O3c11654619(1316)23(29)2611925(101226)207821(28(30)31)22(1520)2718(3)1417(2)2427h481315H912H213H3
MFCD02627922
STK079234
ZINC000004333378
ZINC04333378
ZINC4333378

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Available files

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