Vitas-M small molecule compound
3-nitro-2',6'-dioxo-1',6',6a,7,8,9,10,11-octahydro-2'H,5H-spiro[azepino[1,2-a]quinolinium-6,5'-pyrimidin]-4'-olate
Catalog ID
STK569822
SMILES O=C1NC(=O)C2(C(=N1)[O-])Cc1cc(ccc1[NH+]1C2CCCCC1)[N+](=O)[O-]
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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 C17H18N4O5 MW 358.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O5/c22-14-17(15(23)19-16(24)18-14)9-10-8-11(21(25)26)5-6-12(10)20-7-3-1-2-4-13(17)20/h5-6,8,13H,1-4,7,9H2,(H2,18,19,22,23,24)InChIKey
JJGGCRPFBIEDBQ-UHFFFAOYSA-NSynonyms
850231-82-23nitro26dioxo166a7891011octahydro2H5Hspiro(azepino(12a)quinolinium65pyrimidin)4olate
3nitrospiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)246trione
850231822
C1CCC2C3(CC4=C(N2CC1)C=CC(=C4)(N+)(=O)(O))C(=O)NC(=O)NC3=O
InChI=1SC17H18N4O5c221417(15(23)1916(24)1814)910811(21(25)26)5612(10)207312413(17)20h56813H1479H2(H21819222324)
MFCD18245326
O=C1NC(=O)C2(C(=N1)(O))Cc1cc(ccc1(NH+)1C2CCCCC1)(N+)(=O)(O)
ZINC000009009484
ZINC000018142090
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