Vitas-M small molecule compound

ethyl (2-methoxy-6-{(Z)-2-[2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidin-4-yl]ethenyl}phenoxy)acetate

Catalog ID
STK330236
SMILES CCOC(=O)COc1c(/C=C\c2cc([nH]c(=O)n2)C(F)(F)F)cccc1OC

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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 C18H17F3N2O5 MW 398.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F3N2O5/c1-3-27-15(24)10-28-16-11(5-4-6-13(16)26-2)7-8-12-9-14(18(19,20)21)23-17(25)22-12/h4-9H,3,10H2,1-2H3,(H,22,23,25)/b8-7-
InChIKey
NOBSDHAYMWCXBH-FPLPWBNLSA-N
Synonyms

CCOC(=O)COC1=C(C=CC=C1OC)C=CC2=NC(=O)NC(=C2)C(F)(F)F
CCOC(=O)COc1c(C=Cc2cc((nH)c(=O)n2)C(F)(F)F)cccc1OC
ethyl(2methoxy6((Z)2(2oxo6(trifluoromethyl)12dihydropyrimidin4yl)ethenyl)phenoxy)acetate
ethyl2(2methoxy6((Z)2(2oxo6(trifluoromethyl)1Hpyrimidin4yl)ethenyl)phenoxy)acetate
InChI=1SC18H17F3N2O5c132715(24)10281611(54613(16)262)7812914(18(1920)21)2317(25)2212h49H310H212H3(H222325)b87
MFCD01785734
ZINC000005607668
ZINC05607668
ZINC5607668

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.