Vitas-M small molecule compound
(5Z)-5-{3-bromo-4-[(4-fluorobenzyl)oxy]-5-methoxybenzylidene}-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK057580
SMILES COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCc1ccc(cc1)F)Br
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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 C25H17BrClFN2O5 MW 559.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17BrClFN2O5/c1-34-21-12-15(11-20(26)22(21)35-13-14-2-6-17(28)7-3-14)10-19-23(31)29-25(33)30(24(19)32)18-8-4-16(27)5-9-18/h2-12H,13H2,1H3,(H,29,31,33)/b19-10-InChIKey
DEZUWVKQBSBLEM-GRSHGNNSSA-NSynonyms
(5Z)5((3bromo4((4fluorophenyl)methoxy)5methoxyphenyl)methylidene)1(4chlorophenyl)13diazinane246trione
(5Z)5(3BROMO4((4FLUOROBENZYL)OXY)5METHOXYBENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Br)OCC4=CC=C(C=C4)F
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCc1ccc(cc1)F)Br
InChI=1SC25H17BrClFN2O5c134211215(1120(26)22(21)3513142617(28)7314)101923(31)2925(33)30(24(19)32)188416(27)5918h212H13H21H3(H293133)b1910
MFCD05976055
STK057580
ZINC000097958757
ZINC97958757
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