Vitas-M small molecule compound
1-(2-chlorobenzyl)-1-(4-cyclohexyl-4-hydroxy-4-phenylbut-2-yn-1-yl)piperidinium
Catalog ID
STL327758
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 C28H35ClNO MW 437.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35ClNO/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/h1,4-5,8-9,13-15,18,26,31H,2-3,6-7,10-11,16-17,20-23H2/q+1InChIKey
AMIRLCXYJUPMMX-UHFFFAOYSA-NSynonyms
1(2CHLOROBENZYL)1((4R)4CYCLOHEXYL4HYDROXY4PHENYLBUT2YN1YL)PIPERIDINIUM
1(2chlorobenzyl)1(4cyclohexyl4hydroxy4phenylbut2yn1yl)piperidin1iumchloride
1(2chlorobenzyl)1(4cyclohexyl4hydroxy4phenylbut2yn1yl)piperidinium
4(1((2CHLOROPHENYL)METHYL)PIPERIDIN1IUM1YL)1CYCLOHEXYL1PHENYLBUT2YN1OL
C1CCC(CC1)C(C#CC(N+)2(CCCCC2)CC3=CC=CC=C3Cl)(C4=CC=CC=C4)O
Clc1ccccc1C(N+)1(CCCCC1)CC#CC(c1ccccc1)(C1CCCCC1)O
Clc1ccccc1C(N+)1(CCCCC1)CC#CC(c1ccccc1)(C1CCCCC1)O(Cl)
InChI=1SC28H35ClNOc292718981324(27)2330(20103112130)22121928(3125144151525)26166271726h145891315182631H2367101116172023H2q+1
MFCD01951958
ZINC000001822676
ZINC000001822677
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