Vitas-M small molecule compound
1-(2-chlorobenzyl)-1-[4-hydroxy-4-(1-methylcyclopentyl)-4-phenylbut-2-yn-1-yl]piperidinium
Catalog ID
STL058845
SMILES Clc1ccccc1C[N+]1(CCCCC1)CC#CC(C1(C)CCCC1)(c1ccccc1)O
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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 C28H35ClNO MW 437.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35ClNO/c1-27(17-8-9-18-27)28(31,25-14-4-2-5-15-25)19-12-22-30(20-10-3-11-21-30)23-24-13-6-7-16-26(24)29/h2,4-7,13-16,31H,3,8-11,17-18,20-23H2,1H3/q+1InChIKey
XTJXAOZIKNZHHU-UHFFFAOYSA-NSynonyms
1(2chlorobenzyl)1(4hydroxy4(1methylcyclopentyl)4phenylbut2yn1yl)piperidin1iumchloride
1(2chlorobenzyl)1(4hydroxy4(1methylcyclopentyl)4phenylbut2yn1yl)piperidinium
4(1((2CHLOROPHENYL)METHYL)PIPERIDIN1IUM1YL)1(1METHYLCYCLOPENTYL)1PHENYLBUT2YN1OL
CC1(CCCC1)C(C#CC(N+)2(CCCCC2)CC3=CC=CC=C3Cl)(C4=CC=CC=C4)O
Clc1ccccc1C(N+)1(CCCCC1)CC#CC(C1(C)CCCC1)(c1ccccc1)O
Clc1ccccc1C(N+)1(CCCCC1)CC#CC(C1(C)CCCC1)(c1ccccc1)O(Cl)
InChI=1SC28H35ClNOc127(17891827)28(3125144251525)19122230(20103112130)232413671626(24)29h247131631H381117182023H21H3q+1
ZINC000001769794
ZINC000001769796
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