Vitas-M small molecule compound
1-(2-chlorobenzyl)-1-(4-hydroxy-4,4-diphenylbut-2-yn-1-yl)piperidinium
Catalog ID
STL330480
SMILES Clc1ccccc1C[N+]1(CCCCC1)CC#CC(c1ccccc1)(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 C28H29ClNO MW 431.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClNO/c29-27-18-9-8-13-24(27)23-30(20-10-3-11-21-30)22-12-19-28(31,25-14-4-1-5-15-25)26-16-6-2-7-17-26/h1-2,4-9,13-18,31H,3,10-11,20-23H2/q+1InChIKey
XQOUENBGROMEEW-UHFFFAOYSA-NSynonyms
1(2chlorobenzyl)1(4hydroxy44diphenylbut2yn1yl)piperidinium
4(1((2CHLOROPHENYL)METHYL)PIPERIDIN1IUM1YL)11DIPHENYLBUT2YN1OL
C1CC(N+)(CC1)(CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CC=C4Cl
InChI=1SC28H29ClNOc292718981324(27)2330(20103112130)22121928(3125144151525)26166271726h1249131831H310112023H2q+1
MFCD01948378
ZINC000001830187
ZINC01830187
ZINC1830187
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