Vitas-M small molecule compound
3-(4-fluorophenyl)-1',3'-dimethyl-8-nitro-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
STK578165
SMILES Fc1ccc(cc1)N1CCN2C(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 C23H22FN5O5 MW 467.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FN5O5/c1-25-20(30)23(21(31)26(2)22(25)32)12-14-11-17(29(33)34)7-8-18(14)28-10-9-27(13-19(23)28)16-5-3-15(24)4-6-16/h3-8,11,19H,9-10,12-13H2,1-2H3InChIKey
CQHJLPBXJUCXKJ-UHFFFAOYSA-NSynonyms
879471-62-23(4fluorophenyl)13dimethyl8nitro12344a6hexahydro1Hspiro(pyrazino(12a)quinoline55pyrimidine)246(3H)trione
3(4fluorophenyl)13dimethyl8nitro2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
3(4fluorophenyl)13dimethyl8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
879471622
CN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)C5=CC=C(C=C5)F)C(=O)N(C1=O)C
Fc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=O)N(C)C(=O)N(C1=O)C
InChI=1SC23H22FN5O5c12520(30)23(21(31)26(2)22(25)32)12141117(29(33)34)7818(14)2810927(1319(23)28)165315(24)4616h381119H9101213H212H3
MFCD06773833
ZINC000009015882
ZINC000009015883
ZINC09015882
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.