Vitas-M small molecule compound
3-benzyl-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
STK576703
SMILES OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccccc1)[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 C22H21N5O5 MW 435.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O5/c28-19-22(20(29)24-21(30)23-19)11-15-10-16(27(31)32)6-7-17(15)26-9-8-25(13-18(22)26)12-14-4-2-1-3-5-14/h1-7,10,18H,8-9,11-13H2,(H2,23,24,28,29,30)InChIKey
RZMGSZHPVPNEJS-UHFFFAOYSA-NSynonyms
727372-77-23benzyl26dihydroxy8nitro2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)4one
3benzyl8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
727372772
C1CN2C(CN1CC3=CC=CC=C3)C4(CC5=C2C=CC(=C5)(N+)(=O)(O))C(=O)NC(=O)NC4=O
InChI=1SC22H21N5O5c281922(20(29)2421(30)2319)11151016(27(31)32)6717(15)269825(1318(22)26)12144213514h171018H891113H2(H22324282930)
MFCD07211967
OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccccc1)(N+)(=O)(O)
ZINC000018155630
ZINC000036113018
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