Vitas-M small molecule compound

N-benzyl-4-chloro-N-(3-phenylprop-2-yn-1-yl)butan-1-amine

Catalog ID
STL112778
SMILES ClCCCCN(Cc1ccccc1)CC#Cc1ccccc1

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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 C20H22ClN MW 311.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN/c21-15-7-8-16-22(18-20-12-5-2-6-13-20)17-9-14-19-10-3-1-4-11-19/h1-6,10-13H,7-8,15-18H2
InChIKey
MZWYMRRNHXWUHQ-UHFFFAOYSA-N
Synonyms

C1=CC=C(C=C1)CN(CCCCCl)CC#CC2=CC=CC=C2
InChI=1SC20H22ClNc2115781622(1820125261320)1791419103141119h161013H781518H2
MFCD20746322
Nbenzyl4chloroN(3phenylprop2yn1yl)butan1amine
Nbenzyl4chloroN(3phenylprop2ynyl)butan1amine
ZINC000067319270
ZINC67319270

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Available files

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