Vitas-M small molecule compound
dipropan-2-yl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STL046039
SMILES CC(OC(=O)C1C(=O)CC(C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(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 C21H27NO8 MW 421.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO8/c1-11(2)29-19(24)17-15(23)10-21(5,26)18(20(25)30-12(3)4)16(17)13-7-6-8-14(9-13)22(27)28/h6-9,11-12,16-18,26H,10H2,1-5H3InChIKey
LTAJSQLTORSAHL-UHFFFAOYSA-NSynonyms
472982-02-8472982028
CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC(=CC=C2)(N+)(=O)(O)
CC(OC(=O)C1C(=O)CC(C(C1c1cccc(c1)(N+)(=O)(O))C(=O)OC(C)C)(C)O)C
diisopropyl4hydroxy4methyl2(3nitrophenyl)6oxocyclohexane13dicarboxylate
DIPROPAN2YL(1R2S3S4R)4HYDROXY4METHYL2(3NITROPHENYL)6OXOCYCLOHEXANE13DICARBOXYLATE
dipropan2yl4hydroxy4methyl2(3nitrophenyl)6oxocyclohexane13dicarboxylate
InChI=1SC21H27NO8c111(2)2919(24)1715(23)1021(526)18(20(25)3012(3)4)16(17)1376814(913)22(27)28h691112161826H10H215H3
METHYLETHYL2HYDROXY2METHYL5((METHYLETHYL)OXYCARBONYL)6(3NITROPHENYL)4OXOCYCLOHEXANECARBOXYLATE
MFCD02046560
ZINC000000856668
ZINC000012382695
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