Vitas-M small molecule compound

azepan-1-yl(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)methanone

Catalog ID
STK317161
SMILES O=C(c1nn(c(c1[N+](=O)[O-])C)C)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 C12H18N4O3 MW 266.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N4O3/c1-9-11(16(18)19)10(13-14(9)2)12(17)15-7-5-3-4-6-8-15/h3-8H2,1-2H3
InChIKey
YFFVFFCOVUVIOJ-UHFFFAOYSA-N
Synonyms
515831-23-9
1((4NITRO15DIMETHYL1HPYRAZOL3YL)CARBONYL)AZEPANE
515831239
azepan1yl(15dimethyl4nitro1Hpyrazol3yl)methanone
AZEPAN1YL(15DIMETHYL4NITROPYRAZOL3YL)METHANONE
CC1=C(C(=NN1C)C(=O)N2CCCCCC2)(N+)(=O)(O)
InChI=1SC12H18N4O3c1911(16(18)19)10(1314(9)2)12(17)1575346815h38H212H3
MFCD03758836
O=C(c1nn(c(c1(N+)(=O)(O))C)C)N1CCCCCC1
ZINC000000371939
ZINC00371939
ZINC371939

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.