Vitas-M small molecule compound

azepan-1-yl(1-methyl-4-nitro-1H-pyrazol-5-yl)methanone

Catalog ID
STL390180
SMILES O=C(c1n(C)ncc1[N+](=O)[O-])N1CCCCCC1

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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 C11H16N4O3 MW 252.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H16N4O3/c1-13-10(9(8-12-13)15(17)18)11(16)14-6-4-2-3-5-7-14/h8H,2-7H2,1H3
InChIKey
DHLJGINGBDZWKM-UHFFFAOYSA-N
Synonyms
957299-27-3
1((4NITRO1METHYL1HPYRAZOL5YL)CARBONYL)AZEPANE
957299273
AZAPERHYDROEPINYL1METHYL4NITROPYRAZOL5YLKETONE
azepan1yl(1methyl4nitro1Hpyrazol5yl)methanone
AZEPAN1YL(2METHYL4NITROPYRAZOL3YL)METHANONE
CN1C(=C(C=N1)(N+)(=O)(O))C(=O)N2CCCCCC2
InChI=1SC11H16N4O3c11310(9(81213)15(17)18)11(16)1464235714h8H27H21H3
MFCD00753555
O=C(c1n(C)ncc1(N+)(=O)(O))N1CCCCCC1
ZINC000000342983
ZINC00342983
ZINC342983

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Available files

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