Vitas-M small molecule compound

propan-2-yl (2Z)-2-cyano-3-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}prop-2-enoate

Catalog ID
STL172744
SMILES N#C/C(=C/c1ccc(c(c1)COc1c(F)c(F)c(c(c1F)F)F)OC)/C(=O)OC(C)C

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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 C21H16F5NO4 MW 441.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F5NO4/c1-10(2)31-21(28)12(8-27)6-11-4-5-14(29-3)13(7-11)9-30-20-18(25)16(23)15(22)17(24)19(20)26/h4-7,10H,9H2,1-3H3/b12-6-
InChIKey
ICXDKBIONFZOMG-SDQBBNPISA-N
Synonyms
514220-63-4
514220634
CC(C)OC(=O)C(=CC1=CC(=C(C=C1)OC)COC2=C(C(=C(C(=C2F)F)F)F)F)C#N
InChI=1SC21H16F5NO4c110(2)3121(28)12(827)6114514(293)13(711)9302018(25)16(23)15(22)17(24)19(20)26h4710H9H213H3b126
MFCD02054988
N#CC(=Cc1ccc(c(c1)COc1c(F)c(F)c(c(c1F)F)F)OC)C(=O)OC(C)C
propan2yl(2Z)2cyano3(4methoxy3((pentafluorophenoxy)methyl)phenyl)prop2enoate
propan2yl(Z)2cyano3(4methoxy3((23456pentafluorophenoxy)methyl)phenyl)prop2enoate
ZINC000008398985
ZINC08398985
ZINC8398985

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Available files

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