Vitas-M small molecule compound
(5E)-5-(2-bromo-5-ethoxy-4-methoxybenzylidene)-1-(4-chloro-2,5-dimethoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL484414
SMILES CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2cc(OC)c(cc2OC)Cl)c(cc1OC)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 C22H20BrClN2O7 MW 539.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrClN2O7/c1-5-33-19-7-11(13(23)8-18(19)32-4)6-12-20(27)25-22(29)26(21(12)28)15-10-16(30-2)14(24)9-17(15)31-3/h6-10H,5H2,1-4H3,(H,25,27,29)/b12-6+InChIKey
HKAUDDKSLNXYNG-WUXMJOGZSA-NSynonyms
(5E)5((2BROMO5ETHOXY4METHOXYPHENYL)METHYLIDENE)1(4CHLORO25DIMETHOXYPHENYL)13DIAZINANE246TRIONE
(5E)5(2bromo5ethoxy4methoxybenzylidene)1(4chloro25dimethoxyphenyl)pyrimidine246(1H3H5H)trione
CCOC1=C(C=C(C(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3OC)Cl)OC)Br)OC
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cc(OC)c(cc2OC)Cl)c(cc1OC)Br
InChI=1SC22H20BrClN2O7c153319711(13(23)818(19)324)61220(27)2522(29)26(21(12)28)151016(302)14(24)917(15)313h610H5H214H3(H252729)b126+
MFCD02635596
ZINC000002958867
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