Vitas-M small molecule compound
(2E)-3-{2-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide
Catalog ID
STK121546
SMILES N#C/C(=C\c1cc(OC)c(cc1Br)OCc1ccccc1F)/C(=O)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 C18H14BrFN2O3 MW 405.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14BrFN2O3/c1-24-16-7-12(6-13(9-21)18(22)23)14(19)8-17(16)25-10-11-4-2-3-5-15(11)20/h2-8H,10H2,1H3,(H2,22,23)/b13-6+InChIKey
SHMQNYBTMSEKGE-AWNIVKPZSA-NSynonyms
(2E)3(2BROMO4((2FLUOROBENZYL)OXY)5METHOXYPHENYL)2CYANOPROP2ENAMIDE
(E)3(2BROMO4((2FLUOROPHENYL)METHOXY)5METHOXYPHENYL)2CYANOPROP2ENAMIDE
COC1=C(C=C(C(=C1)C=C(C#N)C(=O)N)Br)OCC2=CC=CC=C2F
InChI=1SC18H14BrFN2O3c12416712(613(921)18(22)23)14(19)817(16)251011423515(11)20h28H10H21H3(H22223)b136+
MFCD04128785
N#CC(=Cc1cc(OC)c(cc1Br)OCc1ccccc1F)C(=O)N
ZINC000004698767
ZINC04698767
ZINC4698767
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