Vitas-M small molecule compound
dipropan-2-yl 5-hydroxy-5-methyl-2-(4-nitrophenyl)-4-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK676471
SMILES CC(OC(=O)C1CC(C)(O)C(=O)C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)OC(C)C)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 C21H27NO8 MW 421.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO8/c1-11(2)29-19(24)15-10-21(5,26)18(23)17(20(25)30-12(3)4)16(15)13-6-8-14(9-7-13)22(27)28/h6-9,11-12,15-17,26H,10H2,1-5H3InChIKey
DFQLPYSPKQLGGU-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1CC(C(=O)C(C1C2=CC=C(C=C2)(N+)(=O)(O))C(=O)OC(C)C)(C)O
CC(OC(=O)C1CC(C)(O)C(=O)C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)OC(C)C)C
DIISOPROPYL5HYDROXY5METHYL2(4NITROPHENYL)4OXOCYCLOHEXANE13DICARBOXYLATE
DIPROPAN2YL5HYDROXY5METHYL2(4NITROPHENYL)4OXOCYCLOHEXANE13DICARBOXYLATE
InChI=1SC21H27NO8c111(2)2919(24)151021(526)18(23)17(20(25)3012(3)4)16(15)136814(9713)22(27)28h691112151726H10H215H3
MFCD02069404
ZINC000004546809
ZINC000253372052
Check stock
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Check stock on Vitas-MAvailable files
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