Vitas-M small molecule compound
diethyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK392528
SMILES CCOC(=O)C1C(=O)CC(C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCC)(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 C19H23NO8 MW 393.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO8/c1-4-27-17(22)15-13(21)10-19(3,24)16(18(23)28-5-2)14(15)11-7-6-8-12(9-11)20(25)26/h6-9,14-16,24H,4-5,10H2,1-3H3InChIKey
ULCFLMRJJZSUDF-UHFFFAOYSA-NSynonyms
93711-14-993711149
CCOC(=O)C1C(=O)CC(C(C1c1cccc(c1)(N+)(=O)(O))C(=O)OCC)(C)O
CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=CC=C2)(N+)(=O)(O)
DIETHYL4HYDROXY2(3NITROPHENYL)4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
diethyl4hydroxy4methyl2(3nitrophenyl)6oxocyclohexane13dicarboxylate
InChI=1SC19H23NO8c142717(22)1513(21)1019(324)16(18(23)2852)14(15)1176812(911)20(25)26h69141624H4510H213H3
MFCD00717863
ZINC000000975060
ZINC000013509622
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