Vitas-M small molecule compound

N-benzyl-5-cyclohexyl-N,N-diethyl-5-hydroxy-5-phenylpent-3-yn-1-aminium

Catalog ID
STL139032
SMILES CC[N+](Cc1ccccc1)(CCC#CC(c1ccccc1)(C1CCCCC1)O)CC

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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 C28H38NO MW 404.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38NO/c1-3-29(4-2,24-25-16-8-5-9-17-25)23-15-14-22-28(30,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-6,8-11,16-19,27,30H,3-4,7,12-13,15,20-21,23-24H2,1-2H3/q+1
InChIKey
AOWKZOFSNTYSCX-UHFFFAOYSA-N
Synonyms

(5R)NBENZYL5CYCLOHEXYLNNDIETHYL5HYDROXY5PHENYLPENT3YN1AMINIUM
BENZYL(5CYCLOHEXYL5HYDROXY5PHENYLPENT3YNYL)DIETHYLAZANIUM
CC(N+)(CC)(CCC#CC(C1CCCCC1)(C2=CC=CC=C2)O)CC3=CC=CC=C3
CC(N+)(Cc1ccccc1)(CCC#CC(c1ccccc1)(C1CCCCC1)O)CC
CC(N+)(Cc1ccccc1)(CCC#CC(c1ccccc1)(C1CCCCC1)O)CC(Cl)
InChI=1SC28H38NOc1329(422425168591725)2315142228(302618106111926)2720127132127h5681116192730H34712131520212324H212H3q+1
MFCD01953484
Nbenzyl5cyclohexylNNdiethyl5hydroxy5phenylpent3yn1aminium
Nbenzyl5cyclohexylNNdiethyl5hydroxy5phenylpent3yn1aminiumchloride
ZINC000001798058
ZINC000001798060

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Available files

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