Vitas-M small molecule compound
1',3'-dimethyl-8-nitro-3-(pyridin-2-yl)-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
STK724689
SMILES O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)c1ccccn1)[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 C22H22N6O5 MW 450.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O5/c1-24-19(29)22(20(30)25(2)21(24)31)12-14-11-15(28(32)33)6-7-16(14)27-10-9-26(13-17(22)27)18-5-3-4-8-23-18/h3-8,11,17H,9-10,12-13H2,1-2H3InChIKey
MDODRGJZPVWCLU-UHFFFAOYSA-NSynonyms
879446-75-013dimethyl8nitro3(pyridin2yl)12344a6hexahydro1Hspiro(pyrazino(12a)quinoline55pyrimidine)246(3H)trione
13dimethyl8nitro3(pyridin2yl)2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
13dimethyl8nitro3pyridin2ylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
879446750
CN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)C5=CC=CC=N5)C(=O)N(C1=O)C
InChI=1SC22H22N6O5c12419(29)22(20(30)25(2)21(24)31)12141115(28(32)33)6716(14)2710926(1317(22)27)1853482318h381117H9101213H212H3
MFCD06773872
O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)c1ccccn1)(N+)(=O)(O)
ZINC000008814550
ZINC000008814551
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