Vitas-M small molecule compound
2',6'-dihydroxy-3-methyl-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Catalog ID
STK584377
SMILES CN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=NC(=NC1=O)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 C16H17N5O5 MW 359.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O5/c1-19-4-5-20-11-3-2-10(21(25)26)6-9(11)7-16(12(20)8-19)13(22)17-15(24)18-14(16)23/h2-3,6,12H,4-5,7-8H2,1H3,(H2,17,18,22,23,24)InChIKey
GVWUKQWJJQFUGC-UHFFFAOYSA-NSynonyms
879454-29-226dihydroxy3methyl8nitro2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)4one
3methyl8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
879454292
CN1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=NC(=NC1=O)O)O
CN1CCN2C(C1)C3(CC4=C2C=CC(=C4)(N+)(=O)(O))C(=O)NC(=O)NC3=O
InChI=1SC16H17N5O5c1194520113210(21(25)26)69(11)716(12(20)819)13(22)1715(24)1814(16)23h23612H4578H21H3(H21718222324)
MFCD07203684
ZINC000016993809
ZINC000245325652
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