Vitas-M small molecule compound

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

Catalog ID
STK512134
SMILES COc1cc(CCNCc2ccc(cc2)C(=O)O)ccc1OC

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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 C18H21NO4 MW 315.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO4/c1-22-16-8-5-13(11-17(16)23-2)9-10-19-12-14-3-6-15(7-4-14)18(20)21/h3-8,11,19H,9-10,12H2,1-2H3,(H,20,21)
InChIKey
ZDYGSDSHRCPIHM-UHFFFAOYSA-N
Synonyms

4(((2(34dimethoxyphenyl)ethyl)amino)methyl)benzoicacid
4(((34dimethoxyphenethyl)amino)methyl)benzoicacidhydrochloride
4((2(34DIMETHOXYPHENYL)ETHYLAMINO)METHYL)BENZOICACID
4((2(34DIMETHOXYPHENYL)ETHYLAZANIUMYL)METHYL)BENZOATE
COC1=C(C=C(C=C1)CC(NH2+)CC2=CC=C(C=C2)C(=O)(O))OC
COc1cc(CCNCc2ccc(cc2)C(=O)O)ccc1OCCl
InChI=1SC18H21NO4c122168513(1117(16)232)9101912143615(7414)18(20)21h381119H91012H212H3(H2021)
MFCD03450359
ZINC000003026355
ZINC03026355
ZINC3026355

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Available files

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