Vitas-M small molecule compound
2-amino-5-(1,3-benzodioxol-5-yl)-1-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-imidazol-3-ium
Catalog ID
STK126125
SMILES O=C(c1cccc(c1)[N+](=O)[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 C19H17N4O5 MW 381.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O5/c1-21-15(12-5-6-17-18(8-12)28-11-27-17)9-22(19(21)20)10-16(24)13-3-2-4-14(7-13)23(25)26/h2-9,20H,10-11H2,1H3/p+1InChIKey
XCGPYQKNPVCIDR-UHFFFAOYSA-OSynonyms
2(2AMINO4(13BENZODIOXOL5YL)3METHYLIMIDAZOL1IUM1YL)1(3NITROPHENYL)ETHANONE
2AMINO5(13BENZODIOXOL5YL)1METHYL3(2(3NITROPHENYL)2OXOETHYL)1HIMIDAZOL3IUM
CN1C(=C(N+)(=C1N)CC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C3=CC4=C(C=C3)OCO4
InChI=1SC19H16N4O5c12115(12561718(812)28112717)922(19(21)20)1016(24)1332414(713)23(25)26h2920H1011H21H3p+1
MFCD04405326
O=C(c1cccc(c1)(N+)(=O)(O))C(n+)1cc(n(c1N)C)c1ccc2c(c1)OCO2
ZINC000334157640
ZINC04700040
ZINC4700040
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