Vitas-M small molecule compound

4-({[2-(2-methoxyphenyl)ethyl]amino}methyl)benzoic acid

Catalog ID
STK512327
SMILES COc1ccccc1CCNCc1ccc(cc1)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 C17H19NO3 MW 285.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO3/c1-21-16-5-3-2-4-14(16)10-11-18-12-13-6-8-15(9-7-13)17(19)20/h2-9,18H,10-12H2,1H3,(H,19,20)
InChIKey
YYHOUQRRKOCQPW-UHFFFAOYSA-N
Synonyms
931995-45-8
4(((2(2methoxyphenyl)ethyl)amino)methyl)benzoicacid
4((2(2methoxyphenyl)ethylazaniumyl)methyl)benzoate
931995458
COC1=CC=CC=C1CC(NH2+)CC2=CC=C(C=C2)C(=O)(O)
InChI=1SC17H19NO3c12116532414(16)10111812136815(9713)17(19)20h2918H1012H21H3(H1920)
MFCD09688911
ZINC000013719401
ZINC13719401

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Available files

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