Vitas-M small molecule compound
(5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-1-(3,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK176841
SMILES CCOc1c(Br)cc(cc1OC)/C=C/1\C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
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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 C22H21BrN2O5 MW 473.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O5/c1-5-30-19-17(23)10-14(11-18(19)29-4)9-16-20(26)24-22(28)25(21(16)27)15-7-12(2)6-13(3)8-15/h6-11H,5H2,1-4H3,(H,24,26,28)/b16-9+InChIKey
MSUSOJWPWVJREF-CXUHLZMHSA-NSynonyms
(5E)5((3bromo4ethoxy5methoxyphenyl)methylidene)1(35dimethylphenyl)13diazinane246trione
(5E)5(3BROMO4ETHOXY5METHOXYBENZYLIDENE)1(35DIMETHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C=C(C=C1Br)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC(=C3)C)C)OC
CCOc1c(Br)cc(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
InChI=1SC22H21BrN2O5c15301917(23)1014(1118(19)294)91620(26)2422(28)25(21(16)27)15712(2)613(3)815h611H5H214H3(H242628)b169+
MFCD01610246
ZINC000009310896
ZINC09310896
ZINC9310896
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