Vitas-M small molecule compound
7'-{(E)-[1-(3-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Catalog ID
STK571231
SMILES Fc1cccc(c1)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=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 C28H24FN5O6 MW 545.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24FN5O6/c1-31-24(37)28(25(38)32(2)27(31)40)14-16-11-15(8-9-20(16)33-10-4-7-21(28)33)12-19-22(35)30-26(39)34(23(19)36)18-6-3-5-17(29)13-18/h3,5-6,8-9,11-13,21H,4,7,10,14H2,1-2H3,(H,30,35,39)/b19-12+InChIKey
ALLJQDWZVGMXKY-XDHOZWIPSA-NSynonyms
892626-50-57((E)(1(3fluorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)13dimethyl1233atetrahydro2H5Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(1H3H)trion
892626505
Fc1cccc(c1)N1C(=O)N=C(C(=Cc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C1=O)O
MFCD07204382
ZINC000097967821
ZINC000097967822
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