Vitas-M small molecule compound

N'-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-N,N-dimethylpropane-1,3-diamine

Catalog ID
STK573963
SMILES CC(CCC(c1ccc2c(c1)OCO2)CCNCCCN(C)C)C

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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 C20H34N2O2 MW 334.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H34N2O2/c1-16(2)6-7-17(10-12-21-11-5-13-22(3)4)18-8-9-19-20(14-18)24-15-23-19/h8-9,14,16-17,21H,5-7,10-13,15H2,1-4H3
InChIKey
HCXCEIGJTTYITG-UHFFFAOYSA-N
Synonyms

CC(C)CCC(CCNCCCN(C)C)C1=CC2=C(C=C1)OCO2
CC(CCC(c1ccc2c(c1)OCO2)CCNCCCN(C)C)CCl
InChI=1SC20H34N2O2c116(2)6717(1012211151322(3)4)18891920(1418)24152319h8914161721H57101315H214H3
MFCD06593263
N((3R)3(13BENZODIOXOL5YL)6METHYLHEPTYL)NNDIMETHYLPROPANE13DIAMINE
N((3S)3(13BENZODIOXOL5YL)6METHYLHEPTYL)NNDIMETHYLPROPANE13DIAMINE
N(3(13benzodioxol5yl)6methylheptyl)NNdimethylpropane13diamine
N1(3(benzo(d)(13)dioxol5yl)6methylheptyl)N3N3dimethylpropane13diaminehydrochloride
ZINC000002441970
ZINC000002441971

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Available files

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