Vitas-M small molecule compound
dimethyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK373244
SMILES COC(=O)C1C(=O)CC(C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC)(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 C17H19NO8 MW 365.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO8/c1-17(22)8-11(19)13(15(20)25-2)12(14(17)16(21)26-3)9-5-4-6-10(7-9)18(23)24/h4-7,12-14,22H,8H2,1-3H3InChIKey
WGETYYLVMDBIRH-UHFFFAOYSA-NSynonyms
5791-86-65791866
CC1(CC(=O)C(C(C1C(=O)OC)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OC)O
COC(=O)C1C(=O)CC(C(C1c1cccc(c1)(N+)(=O)(O))C(=O)OC)(C)O
DIMETHYL(1S2R3R4S)4HYDROXY4METHYL2(3NITROPHENYL)6OXOCYCLOHEXANE13DICARBOXYLATE
DIMETHYL4HYDROXY2(3NITROPHENYL)4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
dimethyl4hydroxy4methyl2(3nitrophenyl)6oxocyclohexane13dicarboxylate
InChI=1SC17H19NO8c117(22)811(19)13(15(20)252)12(14(17)16(21)263)954610(79)18(23)24h47121422H8H213H3
METHYL2HYDROXY5(METHOXYCARBONYL)2METHYL6(3NITROPHENYL)4OXOCYCLOHEXANECARBOXYLATE
MFCD00718124
ZINC000000975389
ZINC000013597257
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