Vitas-M small molecule compound
(5E)-5-{3-bromo-4-[(2-fluorobenzyl)oxy]benzylidene}-1-(2,5-diethoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170239
SMILES CCOc1ccc(cc1N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)Br)OCc2ccccc2F)/C1=O)OCC
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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 C28H24BrFN2O6 MW 583.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24BrFN2O6/c1-3-36-19-10-12-25(37-4-2)23(15-19)32-27(34)20(26(33)31-28(32)35)13-17-9-11-24(21(29)14-17)38-16-18-7-5-6-8-22(18)30/h5-15H,3-4,16H2,1-2H3,(H,31,33,35)/b20-13+InChIKey
FMMBDGMSMDKFGH-DEDYPNTBSA-NSynonyms
(5E)5((3BROMO4((2FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)1(25DIETHOXYPHENYL)13DIAZINANE246TRIONE
(5E)5(3BROMO4((2FLUOROBENZYL)OXY)BENZYLIDENE)1(25DIETHOXYPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=CC(=C(C=C1)OCC)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4F)Br)C(=O)NC2=O
CCOc1ccc(cc1N1C(=O)NC(=O)C(=Cc2ccc(c(c2)Br)OCc2ccccc2F)C1=O)OCC
InChI=1SC28H24BrFN2O6c133619101225(3742)23(1519)3227(34)20(26(33)3128(32)35)131791124(21(29)1417)381618756822(18)30h515H3416H212H3(H313335)b2013+
MFCD02772917
ZINC000097960515
ZINC97960515
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