Vitas-M small molecule compound
2,4-diacetyl-5-hydroxy-5-methyl-3-(3-nitrophenyl)cyclohexanone
Catalog ID
STK835462
SMILES CC(=O)C1C(=O)CC(C(C1c1cccc(c1)[N+](=O)[O-])C(=O)C)(C)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 C17H19NO6 MW 333.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO6/c1-9(19)14-13(21)8-17(3,22)16(10(2)20)15(14)11-5-4-6-12(7-11)18(23)24/h4-7,14-16,22H,8H2,1-3H3InChIKey
PFWYAXMEENKSMR-UHFFFAOYSA-NSynonyms
11(4hydroxy4methyl2(3nitrophenyl)6oxocyclohexane13diyl)diethanone
24DIACETYL5HYDROXY5METHYL3(3NITROPHENYL)CYCLOHEXAN1ONE
24diacetyl5hydroxy5methyl3(3nitrophenyl)cyclohexanone
CC(=O)C1C(=O)CC(C(C1c1cccc(c1)(N+)(=O)(O))C(=O)C)(C)O
CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC17H19NO6c19(19)1413(21)817(322)16(10(2)20)15(14)1154612(711)18(23)24h47141622H8H213H3
MFCD00475723
ZINC000019300922
ZINC000100295010
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