Vitas-M small molecule compound

2-(4-bromophenyl)-2-oxoethyl 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate

Catalog ID
STK388969
SMILES CCC(c1cc(ccc1OCCCC(=O)OCC(=O)c1ccc(cc1)Br)C(CC)(C)C)(C)C

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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 C28H37BrO4 MW 517.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37BrO4/c1-7-27(3,4)21-13-16-25(23(18-21)28(5,6)8-2)32-17-9-10-26(31)33-19-24(30)20-11-14-22(29)15-12-20/h11-16,18H,7-10,17,19H2,1-6H3
InChIKey
CWSDTZLFRGFZSH-UHFFFAOYSA-N
Synonyms
313067-06-0
(2(4BROMOPHENYL)2OXOETHYL)4(24BIS(2METHYLBUTAN2YL)PHENOXY)BUTANOATE
2(4bromophenyl)2oxoethyl4(24bis(2methylbutan2yl)phenoxy)butanoate
313067060
CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)OCC(=O)C2=CC=C(C=C2)Br)C(C)(C)CC
InChI=1SC28H37BrO4c1727(34)21131625(23(1821)28(56)82)321791026(31)331924(30)20111422(29)151220h111618H7101719H216H3
MFCD01046723
ZINC000004134037
ZINC04134037
ZINC4134037

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Available files

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