Vitas-M small molecule compound
2-amino-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-5-(4-methylphenyl)-1H-imidazol-3-ium
Catalog ID
STK124117
SMILES COc1ccc(cc1)C(=O)C[n+]1cc(n(c1N)C)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 C20H22N3O2 MW 336.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2/c1-14-4-6-15(7-5-14)18-12-23(20(21)22(18)2)13-19(24)16-8-10-17(25-3)11-9-16/h4-12,21H,13H2,1-3H3/p+1InChIKey
IQQQSBCAPYQITQ-UHFFFAOYSA-OSynonyms
2(2AMINO3METHYL4(4METHYLPHENYL)IMIDAZOL1IUM1YL)1(4METHOXYPHENYL)ETHANONE
2AMINO3(2(4METHOXYPHENYL)2OXOETHYL)1METHYL5(4METHYLPHENYL)1HIMIDAZOL3IUM
CC1=CC=C(C=C1)C2=C(N+)(=C(N2C)N)CC(=O)C3=CC=C(C=C3)OC
COc1ccc(cc1)C(=O)C(n+)1cc(n(c1N)C)c1ccc(cc1)C
InChI=1SC20H21N3O2c1144615(7514)181223(20(21)22(18)2)1319(24)1681017(253)11916h41221H13H213H3p+1
MFCD04383298
ZINC000334157540
ZINC04699548
ZINC4699548
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