Vitas-M small molecule compound
7'-{(E)-[1-(4-fluorobenzyl)-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
STK594060
SMILES Fc1ccc(cc1)CN1C(=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 C29H26FN5O6 MW 559.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26FN5O6/c1-32-25(38)29(26(39)33(2)28(32)41)14-18-12-17(7-10-21(18)34-11-3-4-22(29)34)13-20-23(36)31-27(40)35(24(20)37)15-16-5-8-19(30)9-6-16/h5-10,12-13,22H,3-4,11,14-15H2,1-2H3,(H,31,36,40)/b20-13+InChIKey
JVFWPFZVIYLFRJ-DEDYPNTBSA-NSynonyms
892625-36-47((E)(1(4fluorobenzyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)13dimethyl1233atetrahydro2H5Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(1H3H)trion
892625364
Fc1ccc(cc1)CN1C(=O)N=C(C(=Cc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C1=O)O
MFCD07204171
ZINC000097968289
ZINC000097968290
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