Vitas-M small molecule compound

4-cyclopentyl-N-ethyl-4-hydroxy-N-methyl-4-phenyl-N-(propan-2-yl)but-2-yn-1-aminium

Catalog ID
STK729187
SMILES CC[N+](C(C)C)(CC#CC(c1ccccc1)(C1CCCC1)O)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 C21H32NO MW 314.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32NO/c1-5-22(4,18(2)3)17-11-16-21(23,20-14-9-10-15-20)19-12-7-6-8-13-19/h6-8,12-13,18,20,23H,5,9-10,14-15,17H2,1-4H3/q+1
InChIKey
MMJITLAKONISGX-UHFFFAOYSA-N
Synonyms

(4CYCLOPENTYL4HYDROXY4PHENYLBUT2YNYL)ETHYLMETHYLPROPAN2YLAZANIUM
4cyclopentylNethyl4hydroxyNisopropylNmethyl4phenylbut2yn1aminiumiodide
4cyclopentylNethyl4hydroxyNmethyl4phenylN(propan2yl)but2yn1aminium
4CYCLOPENTYLNETHYL4HYDROXYNMETHYLN(1METHYLETHYL)4PHENYLBUT2YN1AMINIUM
CC(N+)(C(C)C)(CC#CC(c1ccccc1)(C1CCCC1)O)C
CC(N+)(C(C)C)(CC#CC(c1ccccc1)(C1CCCC1)O)C(I)
CC(N+)(C)(CC#CC(C1CCCC1)(C2=CC=CC=C2)O)C(C)C
InChI=1SC21H32NOc1522(418(2)3)17111621(2320149101520)19127681319h681213182023H5910141517H214H3q+1
MFCD01943314
ZINC000239347228
ZINC000239347231

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Available files

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