Vitas-M small molecule compound

N-(2-chlorobenzyl)-5-cyclohexyl-N,N-diethyl-5-hydroxy-5-phenylpent-3-yn-1-aminium

Catalog ID
STL355186
SMILES CC[N+](Cc1ccccc1Cl)(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 C28H37ClNO MW 439.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37ClNO/c1-3-30(4-2,23-24-15-11-12-20-27(24)29)22-14-13-21-28(31,25-16-7-5-8-17-25)26-18-9-6-10-19-26/h5,7-8,11-12,15-17,20,26,31H,3-4,6,9-10,14,18-19,22-23H2,1-2H3/q+1
InChIKey
MSFRWYPMVGNGCP-UHFFFAOYSA-N
Synonyms

(2CHLOROPHENYL)METHYL(5CYCLOHEXYL5HYDROXY5PHENYLPENT3YNYL)DIETHYLAZANIUM
CC(N+)(CC)(CCC#CC(C1CCCCC1)(C2=CC=CC=C2)O)CC3=CC=CC=C3Cl
CC(N+)(Cc1ccccc1Cl)(CCC#CC(c1ccccc1)(C1CCCCC1)O)CC
CC(N+)(Cc1ccccc1Cl)(CCC#CC(c1ccccc1)(C1CCCCC1)O)CC(Cl)
InChI=1SC28H37ClNOc1330(4223241511122027(24)29)2214132128(3125167581725)261896101926h57811121517202631H3469101418192223H212H3q+1
MFCD01949696
N(2chlorobenzyl)5cyclohexylNNdiethyl5hydroxy5phenylpent3yn1aminium
N(2chlorobenzyl)5cyclohexylNNdiethyl5hydroxy5phenylpent3yn1aminiumchloride
ZINC000001852612
ZINC000001852615

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Available files

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