Vitas-M small molecule compound
(5Z)-5-{3,5-dibromo-4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK667042
SMILES C=CCN1C(=O)NC(=O)/C(=C/c2cc(Br)c(c(c2)Br)OCc2ccccc2F)/C1=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 C21H15Br2FN2O4 MW 538.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15Br2FN2O4/c1-2-7-26-20(28)14(19(27)25-21(26)29)8-12-9-15(22)18(16(23)10-12)30-11-13-5-3-4-6-17(13)24/h2-6,8-10H,1,7,11H2,(H,25,27,29)/b14-8-InChIKey
OSMBYEYPUVLOPW-ZSOIEALJSA-NSynonyms
(5Z)5((35DIBROMO4((2FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)1PROP2ENYL13DIAZINANE246TRIONE
(5Z)5(35dibromo4((2fluorobenzyl)oxy)benzylidene)1(prop2en1yl)pyrimidine246(1H3H5H)trione
C=CCN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3F)Br)C(=O)NC1=O
C=CCN1C(=O)NC(=O)C(=Cc2cc(Br)c(c(c2)Br)OCc2ccccc2F)C1=O
InChI=1SC21H15Br2FN2O4c1272620(28)14(19(27)2521(26)29)812915(22)18(16(23)1012)301113534617(13)24h26810H1711H2(H252729)b148
MFCD01590913
ZINC000053275965
ZINC53275965
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