Vitas-M small molecule compound
bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK998627
SMILES CC(COC(=O)C1C(=O)CC(C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)OCC(C)C)(C)O)C
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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 C23H31NO8 MW 449.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO8/c1-13(2)11-31-21(26)19-17(25)10-23(5,28)20(22(27)32-12-14(3)4)18(19)15-6-8-16(9-7-15)24(29)30/h6-9,13-14,18-20,28H,10-12H2,1-5H3InChIKey
FSIMUIITLVUBGL-UHFFFAOYSA-NSynonyms
1022827-58-21022827582
bis(2methylpropyl)4hydroxy4methyl2(4nitrophenyl)6oxocyclohexane13dicarboxylate
CC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CC=C(C=C2)(N+)(=O)(O)
CC(COC(=O)C1C(=O)CC(C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)OCC(C)C)(C)O)C
diisobutyl4hydroxy4methyl2(4nitrophenyl)6oxocyclohexane13dicarboxylate
InChI=1SC23H31NO8c113(2)113121(26)1917(25)1023(528)20(22(27)321214(3)4)18(19)156816(9715)24(29)30h691314182028H1012H215H3
MFCD03302025
ZINC000009331626
ZINC000013598733
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