Vitas-M small molecule compound
5,5-dimethyl-2-[(4-nitrophenyl)carbonyl]cyclohexane-1,3-dione
Catalog ID
STL026549
SMILES O=C(C1C(=O)CC(CC1=O)(C)C)c1ccc(cc1)[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 C15H15NO5 MW 289.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15NO5/c1-15(2)7-11(17)13(12(18)8-15)14(19)9-3-5-10(6-4-9)16(20)21/h3-6,13H,7-8H2,1-2H3InChIKey
KESBOEBJMZKRMH-UHFFFAOYSA-NSynonyms
55dimethyl2((4nitrophenyl)carbonyl)cyclohexane13dione
55DIMETHYL2(4NITROBENZOYL)CYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(=O)C2=CC=C(C=C2)(N+)(=O)(O))C
InChI=1SC15H15NO5c115(2)711(17)13(12(18)815)14(19)93510(649)16(20)21h3613H78H212H3
MFCD00413243
O=C(C1C(=O)CC(CC1=O)(C)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000100319427
ZINC100319427
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