Vitas-M small molecule compound

3-(2,3-dimethylphenyl)-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
STK578058
SMILES OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)c1cccc(c1C)C)[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 C23H23N5O5 MW 449.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O5/c1-13-4-3-5-17(14(13)2)26-8-9-27-18-7-6-16(28(32)33)10-15(18)11-23(19(27)12-26)20(29)24-22(31)25-21(23)30/h3-7,10,19H,8-9,11-12H2,1-2H3,(H2,24,25,29,30,31)
InChIKey
KBIBAPSUHHWJRS-UHFFFAOYSA-N
Synonyms
879443-62-6
3(23dimethylphenyl)26dihydroxy8nitro2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)4one
3(23dimethylphenyl)8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
879443626
CC1=C(C(=CC=C1)N2CCN3C(C2)C4(CC5=C3C=CC(=C5)(N+)(=O)(O))C(=O)NC(=O)NC4=O)C
InChI=1SC23H23N5O5c11343517(14(13)2)268927187616(28(32)33)1015(18)1123(19(27)1226)20(29)2422(31)2521(23)30h371019H891112H212H3(H22425293031)
MFCD07202944
OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)c1cccc(c1C)C)(N+)(=O)(O)
ZINC000016976690
ZINC000105798648

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Available files

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