Vitas-M small molecule compound
methyl (2E)-3-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyanoprop-2-enoate
Catalog ID
STL416019
SMILES COC(=O)/C(=C/c1cc(Br)c(c(c1)OC)OCc1cccc(c1)F)/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 C19H15BrFNO4 MW 420.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15BrFNO4/c1-24-17-9-13(6-14(10-22)19(23)25-2)8-16(20)18(17)26-11-12-4-3-5-15(21)7-12/h3-9H,11H2,1-2H3/b14-6+InChIKey
ADDJSBBUZWXUHP-MKMNVTDBSA-NSynonyms
COC(=O)C(=Cc1cc(Br)c(c(c1)OC)OCc1cccc(c1)F)C#N
COC1=C(C(=CC(=C1)C=C(C#N)C(=O)OC)Br)OCC2=CC(=CC=C2)F
InChI=1SC19H15BrFNO4c12417913(614(1022)19(23)252)816(20)18(17)26111243515(21)712h39H11H212H3b146+
methyl(2E)3(3bromo4((3fluorobenzyl)oxy)5methoxyphenyl)2cyanoprop2enoate
methyl(E)3(3bromo4((3fluorophenyl)methoxy)5methoxyphenyl)2cyanoprop2enoate
MFCD30706915
ZINC000220956067
ZINC220956067
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