Vitas-M small molecule compound
ethyl 1'-(4-chlorophenyl)-4'-hydroxy-8-nitro-2',6'-dioxo-1,1',2,4,4a,6'-hexahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
Catalog ID
STK588340
SMILES CCOC(=O)N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)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 C24H22ClN5O7 MW 527.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN5O7/c1-2-37-23(34)27-9-10-28-18-8-7-17(30(35)36)11-14(18)12-24(19(28)13-27)20(31)26-22(33)29(21(24)32)16-5-3-15(25)4-6-16/h3-8,11,19H,2,9-10,12-13H2,1H3,(H,26,31,33)InChIKey
WJAOEJLUKWIAFO-UHFFFAOYSA-NSynonyms
880095-94-3880095943
CCOC(=O)N1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O
ethyl1(4chlorophenyl)4hydroxy8nitro26dioxo11244a6hexahydro2H3H6Hspiro(pyrazino(12a)quinoline55pyrimidine)3carboxylate
MFCD07197264
ZINC000097956764
ZINC000245328682
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