Vitas-M small molecule compound
2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium
Catalog ID
STK123799
SMILES COc1ccc(cc1)C(=O)C[n+]1cc(n(c1N)C)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(14-5-8-18-19(9-14)27-12-26-18)10-23(20(22)21)11-17(24)13-3-6-15(25-2)7-4-13/h3-10,21H,11-12H2,1-2H3/p+1InChIKey
LPYWDWJJHOABQF-UHFFFAOYSA-OSynonyms
2(2AMINO4(13BENZODIOXOL5YL)3METHYLIMIDAZOL1IUM1YL)1(4METHOXYPHENYL)ETHANONE
2AMINO5(13BENZODIOXOL5YL)3(2(4METHOXYPHENYL)2OXOETHYL)1METHYL1HIMIDAZOL3IUM
CN1C(=C(N+)(=C1N)CC(=O)C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)OCO4
COc1ccc(cc1)C(=O)C(n+)1cc(n(c1N)C)c1ccc2c(c1)OCO2
InChI=1SC20H19N3O4c12216(14581819(914)27122618)1023(20(22)21)1117(24)133615(252)7413h31021H1112H212H3p+1
MFCD04404098
ZINC000334157561
ZINC04699453
ZINC4699453
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