Vitas-M small molecule compound

3,4-dimethylphenyl 3-methoxybenzoate

Catalog ID
STK388234
SMILES COc1cccc(c1)C(=O)Oc1ccc(c(c1)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 C16H16O3 MW 256.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16O3/c1-11-7-8-15(9-12(11)2)19-16(17)13-5-4-6-14(10-13)18-3/h4-10H,1-3H3
InChIKey
IYTHMLNYHIWVPH-UHFFFAOYSA-N
Synonyms
438539-99-2
(34DIMETHYLPHENYL)3METHOXYBENZOATE
34DIMETHYLPHENYL3METHOXYBENZOATE
3METHOXYBENZOICACID34DIMETHYLPHENYLESTER
438539992
CC1=C(C=C(C=C1)OC(=O)C2=CC(=CC=C2)OC)C
InChI=1SC16H16O3c1117815(912(11)2)1916(17)1354614(1013)183h410H13H3
MFCD00432477
ZINC000002593441
ZINC02593441
ZINC2593441

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Available files

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