Vitas-M small molecule compound
2-amino-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-methyl-5-phenyl-1H-imidazol-3-ium
Catalog ID
STK114008
SMILES O=C(c1ccc2c(c1)OCO2)C[n+]1cc(n(c1N)C)c1ccccc1
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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 C19H18N3O3 MW 336.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O3/c1-21-15(13-5-3-2-4-6-13)10-22(19(21)20)11-16(23)14-7-8-17-18(9-14)25-12-24-17/h2-10,20H,11-12H2,1H3/p+1InChIKey
QYHMPDNIVOEHIT-UHFFFAOYSA-OSynonyms
2(2AMINO3METHYL4PHENYLIMIDAZOL1IUM1YL)1(13BENZODIOXOL5YL)ETHANONE
2AMINO3(2(13BENZODIOXOL5YL)2OXOETHYL)1METHYL5PHENYL1HIMIDAZOL3IUM
CN1C(=C(N+)(=C1N)CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4
InChI=1SC19H17N3O3c12115(135324613)1022(19(21)20)1116(23)14781718(914)25122417h21020H1112H21H3p+1
MFCD09267343
O=C(c1ccc2c(c1)OCO2)C(n+)1cc(n(c1N)C)c1ccccc1
ZINC000334157599
ZINC04690318
ZINC4690318
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