Vitas-M small molecule compound
dimethyl 2-(3-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK375246
SMILES COC(=O)C1C(=O)CC(C(C1c1cccc(c1)Br)C(=O)OC)(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 C17H19BrO6 MW 399.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19BrO6/c1-17(22)8-11(19)13(15(20)23-2)12(14(17)16(21)24-3)9-5-4-6-10(18)7-9/h4-7,12-14,22H,8H2,1-3H3InChIKey
WKJCWCYWGAZBJM-UHFFFAOYSA-NSynonyms
353484-73-8353484738
CC1(CC(=O)C(C(C1C(=O)OC)C2=CC(=CC=C2)Br)C(=O)OC)O
DIMETHYL(1S2R3R4R)2(3BROMOPHENYL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
dimethyl2(3bromophenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC17H19BrO6c117(22)811(19)13(15(20)232)12(14(17)16(21)243)954610(18)79h47121422H8H213H3
MFCD01122122
ZINC000004124238
ZINC000012436545
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