Vitas-M small molecule compound

N-butyl-5-cyclohexyl-5-hydroxy-N,N-dimethyl-5-phenylpent-2-yn-1-aminium

Catalog ID
STL138952
SMILES CCCC[N+](CC#CCC(c1ccccc1)(C1CCCCC1)O)(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 C23H36NO MW 342.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H36NO/c1-4-5-19-24(2,3)20-13-12-18-23(25,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6,8-9,14-15,22,25H,4-5,7,10-11,16-20H2,1-3H3/q+1
InChIKey
GULFIFKYCQBHAX-UHFFFAOYSA-N
Synonyms

butyl(5cyclohexyl5hydroxy5phenylpent2ynyl)dimethylazanium
CCCC(N+)(C)(C)CC#CCC(C1CCCCC1)(C2=CC=CC=C2)O
CCCC(N+)(CC#CCC(c1ccccc1)(C1CCCCC1)O)(C)C
InChI=1SC23H36NOc1451924(23)2013121823(2521148691521)2216107111722h68914152225H45710111620H213H3q+1
Nbutyl5cyclohexyl5hydroxyNNdimethyl5phenylpent2yn1aminium
ZINC000067192402
ZINC000067192404

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Available files

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