Vitas-M small molecule compound

1-(5H-dibenzo[b,f]azepin-5-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethanone

Catalog ID
STK786190
SMILES O=C(N1c2ccccc2C=Cc2c1cccc2)Cn1nc(cc1C)[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 C20H16N4O3 MW 360.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O3/c1-14-12-19(24(26)27)21-22(14)13-20(25)23-17-8-4-2-6-15(17)10-11-16-7-3-5-9-18(16)23/h2-12H,13H2,1H3
InChIKey
DQFNTMUQCDMJIS-UHFFFAOYSA-N
Synonyms

1(5Hdibenzo(bf)azepin5yl)2(5methyl3nitro1Hpyrazol1yl)ethanone
1BENZO(B)(1)BENZAZEPIN11YL2(5METHYL3NITROPYRAZOL1YL)ETHANONE
CC1=CC(=NN1CC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42)(N+)(=O)(O)
InChI=1SC20H16N4O3c1141219(24(26)27)2122(14)1320(25)2317842615(17)101116735918(16)23h212H13H21H3
MFCD08142869
O=C(N1c2ccccc2C=Cc2c1cccc2)Cn1nc(cc1C)(N+)(=O)(O)
ZINC000006668606
ZINC06668606
ZINC6668606

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Available files

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