Vitas-M small molecule compound
methyl (2E)-3-{3-bromo-4-[(4-bromobenzyl)oxy]-5-methoxyphenyl}-2-cyanoprop-2-enoate
Catalog ID
STL416020
SMILES COC(=O)/C(=C/c1cc(Br)c(c(c1)OC)OCc1ccc(cc1)Br)/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 C19H15Br2NO4 MW 481.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15Br2NO4/c1-24-17-9-13(7-14(10-22)19(23)25-2)8-16(21)18(17)26-11-12-3-5-15(20)6-4-12/h3-9H,11H2,1-2H3/b14-7+InChIKey
NCPXKKLUNJHABE-VGOFMYFVSA-NSynonyms
COC(=O)C(=Cc1cc(Br)c(c(c1)OC)OCc1ccc(cc1)Br)C#N
COC1=C(C(=CC(=C1)C=C(C#N)C(=O)OC)Br)OCC2=CC=C(C=C2)Br
InChI=1SC19H15Br2NO4c12417913(714(1022)19(23)252)816(21)18(17)2611123515(20)6412h39H11H212H3b147+
methyl(2E)3(3bromo4((4bromobenzyl)oxy)5methoxyphenyl)2cyanoprop2enoate
methyl(E)3(3bromo4((4bromophenyl)methoxy)5methoxyphenyl)2cyanoprop2enoate
MFCD30706916
ZINC000220956155
ZINC220956155
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