Vitas-M small molecule compound

di-tert-butyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate

Catalog ID
STL000753
SMILES [O-][N+](=O)c1ccc(cc1)C1C(C(=O)OC(C)(C)C)C(=O)CC(C1C(=O)OC(C)(C)C)(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 C23H31NO8 MW 449.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO8/c1-21(2,3)31-19(26)17-15(25)12-23(7,28)18(20(27)32-22(4,5)6)16(17)13-8-10-14(11-9-13)24(29)30/h8-11,16-18,28H,12H2,1-7H3
InChIKey
RRLRTYLZAZPELC-UHFFFAOYSA-N
Synonyms
500002-64-2
(O)(N+)(=O)c1ccc(cc1)C1C(C(=O)OC(C)(C)C)C(=O)CC(C1C(=O)OC(C)(C)C)(C)O
500002642
CC1(CC(=O)C(C(C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)(N+)(=O)(O))C(=O)OC(C)(C)C)O
DI(TERTBUTYL)4HYDROXY4METHYL2(4NITROPHENYL)6OXO13CYCLOHEXANEDICARBOXYLATE
DITERTBUTYL(1S2R3S4R)4HYDROXY4METHYL2(4NITROPHENYL)6OXOCYCLOHEXANE13DICARBOXYLATE
ditertbutyl4hydroxy4methyl2(4nitrophenyl)6oxocyclohexane13dicarboxylate
InChI=1SC23H31NO8c121(23)3119(26)1715(25)1223(728)18(20(27)3222(45)6)16(17)1381014(11913)24(29)30h811161828H12H217H3
MFCD02029094
ZINC000004111593
ZINC000013370739

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Available files

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