Vitas-M small molecule compound
2-amino-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1-methyl-1H-imidazol-3-ium
Catalog ID
STK129536
SMILES CCOc1ccc(cc1)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 C21H22N3O4 MW 380.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4/c1-3-26-16-7-4-14(5-8-16)17-11-24(21(22)23(17)2)12-18(25)15-6-9-19-20(10-15)28-13-27-19/h4-11,22H,3,12-13H2,1-2H3/p+1InChIKey
ZGTVMOLSPYNTSF-UHFFFAOYSA-OSynonyms
2(2AMINO4(4ETHOXYPHENYL)3METHYLIMIDAZOL1IUM1YL)1(13BENZODIOXOL5YL)ETHANONE
2AMINO3(2(13BENZODIOXOL5YL)2OXOETHYL)5(4ETHOXYPHENYL)1METHYL1HIMIDAZOL3IUM
CCOC1=CC=C(C=C1)C2=C(N+)(=C(N2C)N)CC(=O)C3=CC4=C(C=C3)OCO4
CCOc1ccc(cc1)c1c(n+)(c(n1C)N)CC(=O)c1ccc2c(c1)OCO2
InChI=1SC21H21N3O4c1326167414(5816)171124(21(22)23(17)2)1218(25)15691920(1015)28132719h41122H31213H212H3p+1
MFCD09267492
ZINC000334157660
ZINC04700668
ZINC4700668
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