Vitas-M small molecule compound
1',3'-dimethyl-8-nitro-2',4',6'-trioxo-1,1',2,3',4,4',4a,6'-octahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carbaldehyde
Catalog ID
STK591970
SMILES O=CN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N(C)C(=O)N(C1=O)C
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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 C18H19N5O6 MW 401.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O6/c1-19-15(25)18(16(26)20(2)17(19)27)8-11-7-12(23(28)29)3-4-13(11)22-6-5-21(10-24)9-14(18)22/h3-4,7,10,14H,5-6,8-9H2,1-2H3InChIKey
DKLSZUJLHFJTLM-UHFFFAOYSA-NSynonyms
879595-98-913dimethyl8nitro246trioxo1123444a6octahydro2H3H6Hspiro(pyrazino(12a)quinoline55pyrimidine)3carbaldehyde
13dimethyl8nitro246trioxo122344a46octahydro1Hspiro(pyrazino(12a)quinoline55pyrimidine)3(6H)carbaldehyde
13dimethyl8nitro246trioxospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)3carbaldehyde
879595989
CN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)C=O)C(=O)N(C1=O)C
InChI=1SC18H19N5O6c11915(25)18(16(26)20(2)17(19)27)811712(23(28)29)3413(11)226521(1024)914(18)22h3471014H5689H212H3
MFCD07797678
O=CN1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=O)N(C)C(=O)N(C1=O)C
ZINC000008995224
ZINC000008995225
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