Vitas-M small molecule compound

2-(4-butoxyphenyl)-2-methylbutanedioic acid

Catalog ID
STK722304
SMILES CCCCOc1ccc(cc1)C(C(=O)O)(CC(=O)O)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 C15H20O5 MW 280.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20O5/c1-3-4-9-20-12-7-5-11(6-8-12)15(2,14(18)19)10-13(16)17/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKey
XNLDKXLVDNEQAG-UHFFFAOYSA-N
Synonyms
62582-19-8
(2R)2(4BUTOXYPHENYL)2METHYLBUTANEDIOICACID
2(4butoxyphenyl)2methylbutanedioicacid
2(4BUTOXYPHENYL)2METHYLSUCCINICACID
62582198
BUTANEDIOICACID2(4BUTOXYPHENYL)2METHYL
CCCCOC1=CC=C(C=C1)C(C)(CC(=O)O)C(=O)O
InChI=1SC15H20O5c134920127511(6812)15(214(18)19)1013(16)17h58H34910H212H3(H1617)(H1819)
MFCD00568415
ZINC000002285944
ZINC000002285945

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Available files

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