Vitas-M small molecule compound
1-(azepan-1-yl)-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Catalog ID
STK780746
SMILES CC(n1ncc(c1)[N+](=O)[O-])C(=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 C12H18N4O3 MW 266.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N4O3/c1-10(15-9-11(8-13-15)16(18)19)12(17)14-6-4-2-3-5-7-14/h8-10H,2-7H2,1H3InChIKey
RLPSLFKVIKMDCF-UHFFFAOYSA-NSynonyms
(2S)1(AZEPAN1YL)2(4NITRO1HPYRAZOL1YL)PROPAN1ONE
1(azepan1yl)2(4nitro1Hpyrazol1yl)propan1one
1(AZEPAN1YL)2(4NITROPYRAZOL1YL)PROPAN1ONE
1AZAPERHYDROEPINYL2(4NITROPYRAZOLYL)PROPAN1ONE
CC(C(=O)N1CCCCCC1)N2C=C(C=N2)(N+)(=O)(O)
CC(n1ncc(c1)(N+)(=O)(O))C(=O)N1CCCCCC1
InChI=1SC12H18N4O3c110(15911(81315)16(18)19)12(17)1464235714h810H27H21H3
MFCD06013589
ZINC000001432068
ZINC000001432069
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