Vitas-M small molecule compound

4-{[(2,3-dimethoxybenzyl)amino]methyl}benzoic acid

Catalog ID
STK510585
SMILES COc1c(CNCc2ccc(cc2)C(=O)O)cccc1OC

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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 C17H19NO4 MW 301.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO4/c1-21-15-5-3-4-14(16(15)22-2)11-18-10-12-6-8-13(9-7-12)17(19)20/h3-9,18H,10-11H2,1-2H3,(H,19,20)
InChIKey
RSTHXXTUKPMZPO-UHFFFAOYSA-N
Synonyms
775293-83-9
4(((23dimethoxybenzyl)amino)methyl)benzoicacid
4(((23dimethoxybenzyl)amino)methyl)benzoicacidhydrochloride
4(((23DIMETHOXYPHENYL)METHYLAMINO)METHYL)BENZOICACID
4(((23DIMETHOXYPHENYL)METHYLAZANIUMYL)METHYL)BENZOATE
775293839
COC1=CC=CC(=C1OC)C(NH2+)CC2=CC=C(C=C2)C(=O)(O)
COc1c(CNCc2ccc(cc2)C(=O)O)cccc1OCCl
InChI=1SC17H19NO4c1211553414(16(15)222)111810126813(9712)17(19)20h3918H1011H212H3(H1920)
MFCD05881990
ZINC000004657659
ZINC04657659
ZINC4657659

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Available files

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