Vitas-M small molecule compound
1-(4-ethoxy-2,4-dioxobutyl)-3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
Catalog ID
STL267071
SMILES CCOC(=O)CC(=O)C[n+]1cc(n2c1CCC2)c1ccc(cc1)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 C19H23N2O3 MW 327.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N2O3/c1-3-24-19(23)11-16(22)12-20-13-17(21-10-4-5-18(20)21)15-8-6-14(2)7-9-15/h6-9,13H,3-5,10-12H2,1-2H3/q+1InChIKey
XETUMTUPQLQDNS-UHFFFAOYSA-NSynonyms
1(4ethoxy24dioxobutyl)3(4methylphenyl)67dihydro5Hpyrrolo(12a)imidazol1ium
CCOC(=O)CC(=O)C(N+)1=C2CCCN2C(=C1)C3=CC=C(C=C3)C
CCOC(=O)CC(=O)C(n+)1cc(n2c1CCC2)c1ccc(cc1)C
ethyl4(3(4methylphenyl)67dihydro5Hpyrrolo(12a)imidazol1ium1yl)3oxobutanoate
InChI=1SC19H23N2O3c132419(23)1116(22)12201317(21104518(20)21)158614(2)7915h6913H351012H212H3q+1
MFCD04161428
ZINC000006463413
ZINC06463413
ZINC6463413
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