Vitas-M small molecule compound

2-methyl-3-[(3,4,5-trimethoxybenzyl)amino]benzoic acid

Catalog ID
STK511745
SMILES COc1cc(CNc2cccc(c2C)C(=O)O)cc(c1OC)OC

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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 C18H21NO5 MW 331.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO5/c1-11-13(18(20)21)6-5-7-14(11)19-10-12-8-15(22-2)17(24-4)16(9-12)23-3/h5-9,19H,10H2,1-4H3,(H,20,21)
InChIKey
PDGRYWIIZGOSPL-UHFFFAOYSA-N
Synonyms
886632-75-3
2methyl3((345trimethoxybenzyl)amino)benzoicacid
2methyl3((345trimethoxyphenyl)methylamino)benzoicacid
886632753
CC1=C(C=CC=C1NCC2=CC(=C(C(=C2)OC)OC)OC)C(=O)O
InChI=1SC18H21NO5c11113(18(20)21)65714(11)191012815(222)17(244)16(912)233h5919H10H214H3(H2021)
MFCD07611961
ZINC000016577408
ZINC16577408

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Available files

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