Vitas-M small molecule compound
1'-benzyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Catalog ID
STK724731
SMILES O=C1NC(=O)C2(C(=O)N1Cc1ccccc1)Cc1cc(ccc1N1C2COCC1)[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 C22H20N4O6 MW 436.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O6/c27-19-22(20(28)25(21(29)23-19)12-14-4-2-1-3-5-14)11-15-10-16(26(30)31)6-7-17(15)24-8-9-32-13-18(22)24/h1-7,10,18H,8-9,11-13H2,(H,23,27,29)InChIKey
OMAILDRIPQYTJF-UHFFFAOYSA-NSynonyms
(4aR5R)1benzyl8nitro244a6tetrahydro1H1Hspiro((14)oxazino(43a)quinoline55pyrimidine)246(3H)trione
1benzyl8nitro1244atetrahydro2H6Hspiro(14oxazino(43a)quinoline55pyrimidine)246(1H3H)trione
1benzyl8nitrospiro(13diazinane55244a6tetrahydro1H(14)oxazino(43a)quinoline)246trione
C1COCC2N1C3=C(CC24C(=O)NC(=O)N(C4=O)CC5=CC=CC=C5)C=C(C=C3)(N+)(=O)(O)
InChI=1SC22H20N4O6c271922(20(28)25(21(29)2319)12144213514)11151016(26(30)31)6717(15)2489321318(22)24h171018H891113H2(H232729)
MFCD06618525
O=C1NC(=O)(C@@)2(C(=O)N1Cc1ccccc1)Cc1cc(ccc1N1(C@H)2COCC1)(N+)(=O)(O)
O=C1NC(=O)C2(C(=O)N1Cc1ccccc1)Cc1cc(ccc1N1C2COCC1)(N+)(=O)(O)
ZINC000009123228
ZINC000230030693
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.