Vitas-M small molecule compound

2-(4-bromophenyl)-2-oxoethyl 4-(hexyloxy)benzoate

Catalog ID
STK728225
SMILES CCCCCCOc1ccc(cc1)C(=O)OCC(=O)c1ccc(cc1)Br

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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 C21H23BrO4 MW 419.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrO4/c1-2-3-4-5-14-25-19-12-8-17(9-13-19)21(24)26-15-20(23)16-6-10-18(22)11-7-16/h6-13H,2-5,14-15H2,1H3
InChIKey
NAJGPJFEGKSAGY-UHFFFAOYSA-N
Synonyms
138295-20-2
(2(4BROMOPHENYL)2OXOETHYL)4HEXOXYBENZOATE
138295202
2(4bromophenyl)2oxoethyl4(hexyloxy)benzoate
2(4BROMOPHENYL)2OXOETHYL4HEXYLOXYBENZOATE
CCCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br
InChI=1SC21H23BrO4c1234514251912817(91319)21(24)261520(23)1661018(22)11716h613H251415H21H3
MFCD00371732
ZINC000002590366
ZINC02590366
ZINC2590366

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Available files

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