Vitas-M small molecule compound

1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4,5-dimethoxybenzyl)methanamine

Catalog ID
STK291297
SMILES COc1c(Cl)cc(cc1OC)CNCc1ccc2c(c1)OCO2

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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 C17H18ClNO4 MW 335.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClNO4/c1-20-16-7-12(5-13(18)17(16)21-2)9-19-8-11-3-4-14-15(6-11)23-10-22-14/h3-7,19H,8-10H2,1-2H3
InChIKey
RJXGJHWZZQJHGR-UHFFFAOYSA-N
Synonyms

1(13BENZODIOXOL5YL)N((3CHLORO45DIMETHOXYPHENYL)METHYL)METHANAMINE
1(13benzodioxol5yl)N(3chloro45dimethoxybenzyl)methanamine
BENZO(13)DIOXOL5YLMETHYL(3CHLORO45DIMETHOXYBENZYL)AMINE
COC1=C(C(=CC(=C1)CNCC2=CC3=C(C=C2)OCO3)Cl)OC
InChI=1SC17H18ClNO4c12016712(513(18)17(16)212)919811341415(611)23102214h3719H810H212H3
MFCD07406416
N(13BENZODIOXOL5YLMETHYL)N(3CHLORO45DIMETHOXYBENZYL)AMINE
ZINC000005019188
ZINC5019188

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Available files

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