Vitas-M small molecule compound
methyl (2E)-3-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-methoxyphenyl}-2-cyanoprop-2-enoate
Catalog ID
STL416017
SMILES COC(=O)/C(=C/c1cc(Br)c(c(c1)OC)OCc1ccc(cc1Cl)Cl)/C#N
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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 C19H14BrCl2NO4 MW 471.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrCl2NO4/c1-25-17-7-11(5-13(9-23)19(24)26-2)6-15(20)18(17)27-10-12-3-4-14(21)8-16(12)22/h3-8H,10H2,1-2H3/b13-5+InChIKey
XHJBHFIUWATSGJ-WLRTZDKTSA-NSynonyms
COC(=O)C(=Cc1cc(Br)c(c(c1)OC)OCc1ccc(cc1Cl)Cl)C#N
COC1=C(C(=CC(=C1)C=C(C#N)C(=O)OC)Br)OCC2=C(C=C(C=C2)Cl)Cl
InChI=1SC19H14BrCl2NO4c12517711(513(923)19(24)262)615(20)18(17)2710123414(21)816(12)22h38H10H212H3b135+
methyl(2E)3(3bromo4((24dichlorobenzyl)oxy)5methoxyphenyl)2cyanoprop2enoate
methyl(E)3(3bromo4((24dichlorophenyl)methoxy)5methoxyphenyl)2cyanoprop2enoate
MFCD30706913
ZINC000220955888
ZINC220955888
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