Vitas-M small molecule compound

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

Catalog ID
STK842696
SMILES Brc1ccc(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 C23H31BrO6 MW 483.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31BrO6/c1-21(2,3)29-19(26)17-15(25)12-23(7,28)18(20(27)30-22(4,5)6)16(17)13-8-10-14(24)11-9-13/h8-11,16-18,28H,12H2,1-7H3
InChIKey
XYXFTTCWUASWPB-UHFFFAOYSA-N
Synonyms
342394-62-1
342394621
CC1(CC(=O)C(C(C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)Br)C(=O)OC(C)(C)C)O
ditertbutyl2(4bromophenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC23H31BrO6c121(23)2919(26)1715(25)1223(728)18(20(27)3022(45)6)16(17)1381014(24)11913h811161828H12H217H3
MFCD01822045
ZINC000008425770
ZINC000013564525

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.