Vitas-M small molecule compound

3-(4-methoxyphenyl)-1-(2-oxopropyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium

Catalog ID
STL050053
SMILES COc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)C

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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 C16H19N2O2 MW 271.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N2O2/c1-12(19)10-17-11-15(18-9-3-4-16(17)18)13-5-7-14(20-2)8-6-13/h5-8,11H,3-4,9-10H2,1-2H3/q+1
InChIKey
LOSXWUBEQHWPAY-UHFFFAOYSA-N
Synonyms

1(3(4METHOXYPHENYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM1YL)PROPAN2ONE
3(4methoxyphenyl)1(2oxopropyl)1567tetrahydropyrrolo(12a)imidazol4ium
CC(=O)C(N+)1=C2CCCN2C(=C1)C3=CC=C(C=C3)OC
COc1ccc(cc1)c1cn(c2(n+)1CCC2)CC(=O)C
InChI=1SC16H19N2O2c112(19)10171115(1893416(17)18)135714(202)8613h5811H34910H212H3q+1
ZINC000017198168
ZINC17198168

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Available files

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