Vitas-M small molecule compound
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Catalog ID
STL050209
SMILES O=C(Cn1cc([n+]2c1CCC2)c1ccccc1)Nc1ccc2c(c1)OCCO2
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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 C22H22N3O3 MW 376.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3/c26-21(23-17-8-9-19-20(13-17)28-12-11-27-19)15-24-14-18(16-5-2-1-3-6-16)25-10-4-7-22(24)25/h1-3,5-6,8-9,13-14H,4,7,10-12,15H2/p+1InChIKey
IZBBXWUSRRVLGA-UHFFFAOYSA-OSynonyms
1(2(23dihydro14benzodioxin6ylamino)2oxoethyl)3phenyl1567tetrahydropyrrolo(12a)imidazol4ium
C1CC2=(N+)(C=C(N2C1)C3=CC=CC=C3)CC(=O)NC4=CC5=C(C=C4)OCCO5
InChI=1SC22H21N3O3c2621(2317891920(1317)2812112719)15241418(165213616)25104722(24)25h1356891314H47101215H2p+1
N(23DIHYDRO14BENZODIOXIN6YL)2(3PHENYL67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM1YL)ACETAMIDE
O=C(Cn1cc((n+)2c1CCC2)c1ccccc1)Nc1ccc2c(c1)OCCO2
ZINC000013758695
ZINC13758695
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