Vitas-M small molecule compound
bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STL005231
SMILES CC(COC(=O)C1C(=O)CC(C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCC(C)C)(C)O)C
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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)15-7-6-8-16(9-15)24(29)30/h6-9,13-14,18-20,28H,10-12H2,1-5H3InChIKey
YAOJLVKSVMJFBW-UHFFFAOYSA-NSynonyms
1005096-22-91005096229
bis(2methylpropyl)4hydroxy4methyl2(3nitrophenyl)6oxocyclohexane13dicarboxylate
CC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CC(=CC=C2)(N+)(=O)(O)
CC(COC(=O)C1C(=O)CC(C(C1c1cccc(c1)(N+)(=O)(O))C(=O)OCC(C)C)(C)O)C
diisobutyl4hydroxy4methyl2(3nitrophenyl)6oxocyclohexane13dicarboxylate
InChI=1SC23H31NO8c113(2)113121(26)1917(25)1023(528)20(22(27)321214(3)4)18(19)1576816(915)24(29)30h691314182028H1012H215H3
MFCD03292286
ZINC000009348888
ZINC000033920128
Check stock
See real-time availability and sample size for STL005231 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.