Vitas-M small molecule compound

1-(2-hydroxy-3-phenoxypropyl)-2,3-dimethyl-1H-3,1-benzimidazol-3-ium

Catalog ID
STK370571
SMILES OC(Cn1c2ccccc2[n+](c1C)C)COc1ccccc1

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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 C18H21N2O2 MW 297.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N2O2/c1-14-19(2)17-10-6-7-11-18(17)20(14)12-15(21)13-22-16-8-4-3-5-9-16/h3-11,15,21H,12-13H2,1-2H3/q+1
InChIKey
ZAZOZQVZCPFDRZ-UHFFFAOYSA-N
Synonyms

1(23DIMETHYLBENZIMIDAZOL3IUM1YL)3PHENOXYPROPAN2OL
1(23DIMETHYLBENZIMIDAZOLYL)3PHENOXYPROPAN2OL
1(2hydroxy3phenoxypropyl)23dimethyl1H31benzimidazol3ium
3(2HYDROXY3PHENOXYPROPYL)12DIMETHYL3HBENZOIMIDAZOL1IUM
CC1=(N+)(C2=CC=CC=C2N1CC(COC3=CC=CC=C3)O)C
InChI=1SC18H21N2O2c11419(2)1710671118(17)20(14)1215(21)1322168435916h3111521H1213H212H3q+1
MFCD00484543
OC(Cn1c2ccccc2(n+)(c1C)C)COc1ccccc1
ZINC000017488686
ZINC000017488689

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Available files

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