Vitas-M small molecule compound
2',6'-dihydroxy-8-nitro-3-propanoyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Catalog ID
STK592693
SMILES CCC(=O)N1CCN2C(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 C18H19N5O6 MW 401.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O6/c1-2-14(24)21-5-6-22-12-4-3-11(23(28)29)7-10(12)8-18(13(22)9-21)15(25)19-17(27)20-16(18)26/h3-4,7,13H,2,5-6,8-9H2,1H3,(H2,19,20,25,26,27)InChIKey
BOLXCPRMAQGGKC-UHFFFAOYSA-NSynonyms
879470-10-726dihydroxy8nitro3propanoyl2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)4one
879470107
CCC(=O)N1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=NC(=NC1=O)O)O
MFCD07211896
ZINC000017027180
ZINC000018177989
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