Vitas-M small molecule compound

3-methoxy-4-(3-methylbutoxy)benzoic acid

Catalog ID
STK505670
SMILES COc1cc(ccc1OCCC(C)C)C(=O)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 C13H18O4 MW 238.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18O4/c1-9(2)6-7-17-11-5-4-10(13(14)15)8-12(11)16-3/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)
InChIKey
ZQKSBWFZSKQIQU-UHFFFAOYSA-N
Synonyms
303059-32-7
303059327
3methoxy4(3methylbutoxy)benzoicacid
4(ISOPENTYLOXY)3METHOXYBENZOICACID
CC(C)CCOC1=C(C=C(C=C1)C(=O)O)OC
InChI=1SC13H18O4c19(2)6717115410(13(14)15)812(11)163h4589H67H213H3(H1415)
MFCD02674923
ZINC000000347877
ZINC347877

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Available files

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