Vitas-M small molecule compound
(5Z)-5-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxybenzylidene}-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK078407
SMILES COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCc1ccccc1F)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/c1-34-21-12-14(11-19(26)22(21)35-13-15-4-2-3-5-20(15)28)10-18-23(31)29-25(33)30(24(18)32)17-8-6-16(27)7-9-17/h2-12H,13H2,1H3,(H,29,31,33)/b18-10-InChIKey
ZGZVTRLQSDOPAA-ZDLGFXPLSA-NSynonyms
(5Z)5((3bromo4((2fluorophenyl)methoxy)5methoxyphenyl)methylidene)1(4chlorophenyl)13diazinane246trione
(5Z)5(3BROMO4((2FLUOROBENZYL)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=CC=C4F
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCc1ccccc1F)Br
InChI=1SC25H17BrClFN2O5c134211214(1119(26)22(21)351315423520(15)28)101823(31)2925(33)30(24(18)32)178616(27)7917h212H13H21H3(H293133)b1810
MFCD05976054
STK078407
ZINC000097959047
ZINC97959047
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