Vitas-M small molecule compound
methyl (2E)-2-cyano-3-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)prop-2-enoate
Catalog ID
STK473389
SMILES N#C/C(=C\c1ccc(c(c1)COc1cccc(c1)C(F)(F)F)OC)/C(=O)OC
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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 C20H16F3NO4 MW 391.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3NO4/c1-26-18-7-6-13(8-14(11-24)19(25)27-2)9-15(18)12-28-17-5-3-4-16(10-17)20(21,22)23/h3-10H,12H2,1-2H3/b14-8+InChIKey
MODOVTMRLKWPDG-RIYZIHGNSA-NSynonyms
COC1=C(C=C(C=C1)C=C(C#N)C(=O)OC)COC2=CC=CC(=C2)C(F)(F)F
InChI=1SC20H16F3NO4c126187613(814(1124)19(25)272)915(18)12281753416(1017)20(2122)23h310H12H212H3b148+
methyl(2E)2cyano3(4methoxy3((3(trifluoromethyl)phenoxy)methyl)phenyl)prop2enoate
methyl(E)2cyano3(4methoxy3((3(trifluoromethyl)phenoxy)methyl)phenyl)prop2enoate
MFCD07091656
N#CC(=Cc1ccc(c(c1)COc1cccc(c1)C(F)(F)F)OC)C(=O)OC
ZINC000017079886
ZINC17079886
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