Vitas-M small molecule compound
4-nitro-3-(3-nitrophenyl)cyclohexanone
Catalog ID
STK683581
SMILES O=C1CCC(C(C1)c1cccc(c1)[N+](=O)[O-])[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 C12H12N2O5 MW 264.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N2O5/c15-10-4-5-12(14(18)19)11(7-10)8-2-1-3-9(6-8)13(16)17/h1-3,6,11-12H,4-5,7H2InChIKey
MEXRTFDAXUGQAT-UHFFFAOYSA-NSynonyms
4NITRO3(3NITROPHENYL)CYCLOHEXAN1ONE
4NITRO3(3NITROPHENYL)CYCLOHEXANONE
C1CC(=O)CC(C1(N+)(=O)(O))C2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC12H12N2O5c15104512(14(18)19)11(710)82139(68)13(16)17h1361112H457H2
MFCD05258280
O=C1CCC(C(C1)c1cccc(c1)(N+)(=O)(O))(N+)(=O)(O)
ZINC000004687225
ZINC000004687229
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