Vitas-M small molecule compound

diethyl 2-(3-bromo-4-methoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Catalog ID
STK372466
SMILES CCOC(=O)C1C(=O)CC(C(C1c1ccc(c(c1)Br)OC)C(=O)OCC)(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 C20H25BrO7 MW 457.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25BrO7/c1-5-27-18(23)16-13(22)10-20(3,25)17(19(24)28-6-2)15(16)11-7-8-14(26-4)12(21)9-11/h7-9,15-17,25H,5-6,10H2,1-4H3
InChIKey
XOELAUOMTDQLPE-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=C(C=C2)OC)Br
DIETHYL2(3BROMO4METHOXYPHENYL)4HYDROXY4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
diethyl2(3bromo4methoxyphenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC20H25BrO7c152718(23)1613(22)1020(325)17(19(24)2862)15(16)117814(264)12(21)911h79151725H5610H214H3
MFCD00717861
ZINC000000975059
ZINC000013562762

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Available files

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