Vitas-M small molecule compound
2-amino-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1-methyl-1H-imidazol-3-ium
Catalog ID
STK114726
SMILES Fc1ccc(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 C19H17FN3O3 MW 354.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16FN3O3/c1-22-15(12-2-5-14(20)6-3-12)9-23(19(22)21)10-16(24)13-4-7-17-18(8-13)26-11-25-17/h2-9,21H,10-11H2,1H3/p+1InChIKey
VNKOHYLBPDDIMZ-UHFFFAOYSA-OSynonyms
2(2AMINO4(4FLUOROPHENYL)3METHYLIMIDAZOL1IUM1YL)1(13BENZODIOXOL5YL)ETHANONE
2AMINO3(2(13BENZODIOXOL5YL)2OXOETHYL)5(4FLUOROPHENYL)1METHYL1HIMIDAZOL3IUM
CN1C(=C(N+)(=C1N)CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F
Fc1ccc(cc1)c1c(n+)(c(n1C)N)CC(=O)c1ccc2c(c1)OCO2
InChI=1SC19H16FN3O3c12215(122514(20)6312)923(19(22)21)1016(24)13471718(813)26112517h2921H1011H21H3p+1
MFCD09267351
ZINC000334157628
ZINC04690468
ZINC4690468
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