Vitas-M small molecule compound

3-(2-fluorophenyl)-2',6'-dihydroxy-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one

Catalog ID
STK575494
SMILES OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)c1ccccc1F)[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 C21H18FN5O5 MW 439.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN5O5/c22-14-3-1-2-4-16(14)25-7-8-26-15-6-5-13(27(31)32)9-12(15)10-21(17(26)11-25)18(28)23-20(30)24-19(21)29/h1-6,9,17H,7-8,10-11H2,(H2,23,24,28,29,30)
InChIKey
XTIHMOYCXGKWGX-UHFFFAOYSA-N
Synonyms
896674-97-8
3(2fluorophenyl)26dihydroxy8nitro2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)4one
3(2fluorophenyl)8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
896674978
C1CN2C(CN1C3=CC=CC=C3F)C4(CC5=C2C=CC(=C5)(N+)(=O)(O))C(=O)NC(=O)NC4=O
InChI=1SC21H18FN5O5c2214312416(14)257826156513(27(31)32)912(15)1021(17(26)1125)18(28)2320(30)2419(21)29h16917H781011H2(H22324282930)
MFCD07198771
OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)c1ccccc1F)(N+)(=O)(O)
ZINC000009267132
ZINC000016956877

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Available files

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