Vitas-M small molecule compound
4a-methyl-8-nitro-2',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinolinium-5,5'-pyrimidin]-4'-olate
Catalog ID
STL053740
SMILES O=C1NC(=O)C2(C(=N1)[O-])Cc1cc(ccc1[NH+]1C2(C)CCCC1)[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/c1-16-6-2-3-7-20(16)12-5-4-11(21(25)26)8-10(12)9-17(16)13(22)18-15(24)19-14(17)23/h4-5,8H,2-3,6-7,9H2,1H3,(H2,18,19,22,23,24)InChIKey
ZDGMVPSDEKWDII-UHFFFAOYSA-NSynonyms
4amethyl8nitro26dioxo12344a6hexahydro1H2H6Hspiro(pyrido(12a)quinolinium55pyrimidin)4olate
4amethyl8nitrospiro(13diazinane552346tetrahydro1Hbenzo(c)quinolizine)246trione
CC12CCCCN1C3=C(CC24C(=O)NC(=O)NC4=O)C=C(C=C3)(N+)(=O)(O)
InChI=1SC17H18N4O5c116623720(16)125411(21(25)26)810(12)917(16)13(22)1815(24)1914(17)23h458H23679H21H3(H21819222324)
MFCD18249559
O=C1NC(=O)C2(C(=N1)(O))Cc1cc(ccc1(NH+)1C2(C)CCCC1)(N+)(=O)(O)
ZINC000017206383
ZINC000017206386
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