Vitas-M small molecule compound
2-amino-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-methoxyphenyl)-1-methyl-1H-imidazol-3-ium
Catalog ID
STK124044
SMILES COc1cccc(c1)c1c[n+](c(n1C)N)CC(=O)c1ccc2c(c1)OCO2
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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 C20H20N3O4 MW 366.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4/c1-22-16(13-4-3-5-15(8-13)25-2)10-23(20(22)21)11-17(24)14-6-7-18-19(9-14)27-12-26-18/h3-10,21H,11-12H2,1-2H3/p+1InChIKey
HXHSFOOLICQOLT-UHFFFAOYSA-OSynonyms
2(2AMINO4(3METHOXYPHENYL)3METHYLIMIDAZOL1IUM1YL)1(13BENZODIOXOL5YL)ETHANONE
2AMINO3(2(13BENZODIOXOL5YL)2OXOETHYL)5(3METHOXYPHENYL)1METHYL1HIMIDAZOL3IUM
CN1C(=C(N+)(=C1N)CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)OC
COc1cccc(c1)c1c(n+)(c(n1C)N)CC(=O)c1ccc2c(c1)OCO2
InChI=1SC20H19N3O4c12216(1343515(813)252)1023(20(22)21)1117(24)14671819(914)27122618h31021H1112H212H3p+1
MFCD09267451
ZINC000334157536
ZINC04699532
ZINC4699532
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