Vitas-M small molecule compound

6'-methoxy-1-methylcinchonan-1-ium-9-ol

Catalog ID
STL553083
SMILES C=CC1C[N+]2(C)CCC1CC2C(c1ccnc2c1cc(OC)cc2)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 C21H27N2O2 MW 339.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N2O2/c1-4-14-13-23(2)10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-3)12-18(17)19/h4-7,9,12,14-15,20-21,24H,1,8,10-11,13H2,2-3H3/q+1
InChIKey
SJTSZVLGFLZBFK-UHFFFAOYSA-N
Synonyms

(2R5R)2((S)hydroxy(6methoxyquinolin4yl)methyl)1methyl5vinylquinuclidin1iumiodide
(5ETHENYL1METHYL1AZONIABICYCLO(222)OCTAN2YL)(6METHOXYQUINOLIN4YL)METHANOL
4366597
6methoxy1methylcinchonan1ium9ol
C=C(C@H)1C(N+)2(C)CCC1C(C@@H)2(C@H)(c1ccnc2c1cc(OC)cc2)O(I)
InChI=1SC21H27N2O2c14141323(2)10815(14)1120(23)21(24)177922196516(253)1218(17)19h479121415202124H18101113H223H3q+1
ZINC000252441359
ZINC000503933240

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.