Vitas-M small molecule compound
8-nitro-3-(phenylcarbonyl)-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Catalog ID
STK782587
SMILES O=C1NC(=O)C2(C(=O)N1)Cc1cc(ccc1N1C2CN(CC1)C(=O)c1ccccc1)[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 C22H19N5O6 MW 449.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O6/c28-18(13-4-2-1-3-5-13)25-8-9-26-16-7-6-15(27(32)33)10-14(16)11-22(17(26)12-25)19(29)23-21(31)24-20(22)30/h1-7,10,17H,8-9,11-12H2,(H2,23,24,29,30,31)InChIKey
CFZUBUQZSDXGJP-UHFFFAOYSA-NSynonyms
3benzoyl8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
8nitro3(phenylcarbonyl)2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
C1CN2C(CN1C(=O)C3=CC=CC=C3)C4(CC5=C2C=CC(=C5)(N+)(=O)(O))C(=O)NC(=O)NC4=O
InChI=1SC22H19N5O6c2818(134213513)258926167615(27(32)33)1014(16)1122(17(26)1225)19(29)2321(31)2420(22)30h171017H891112H2(H22324293031)
MFCD06017818
O=C1NC(=O)C2(C(=O)N1)Cc1cc(ccc1N1C2CN(CC1)C(=O)c1ccccc1)(N+)(=O)(O)
ZINC000012375900
ZINC000014944797
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