Vitas-M small molecule compound

(2Z)-2-[(5-methylfuran-2-yl)methylidene]-6-[(pentafluorobenzyl)oxy]-1-benzofuran-3(2H)-one

Catalog ID
STK657300
SMILES Cc1ccc(o1)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1c(F)c(F)c(c(c1F)F)F

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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 C21H11F5O4 MW 422.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11F5O4/c1-9-2-3-11(29-9)7-15-21(27)12-5-4-10(6-14(12)30-15)28-8-13-16(22)18(24)20(26)19(25)17(13)23/h2-7H,8H2,1H3/b15-7-
InChIKey
YOGUKLIDFSOTRQ-CHHVJCJISA-N
Synonyms
622793-32-2
(2Z)2((5methylfuran2yl)methylidene)6((23456pentafluorophenyl)methoxy)1benzofuran3one
(2Z)2((5methylfuran2yl)methylidene)6((pentafluorobenzyl)oxy)1benzofuran3(2H)one
(Z)2((5methylfuran2yl)methylene)6((perfluorophenyl)methoxy)benzofuran3(2H)one
622793322
CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC4=C(C(=C(C(=C4F)F)F)F)F
Cc1ccc(o1)C=C1Oc2c(C1=O)ccc(c2)OCc1c(F)c(F)c(c(c1F)F)F
InChI=1SC21H11F5O4c192311(299)71521(27)125410(614(12)3015)2881316(22)18(24)20(26)19(25)17(13)23h27H8H21H3b157
MFCD04182706
ZINC000002367202
ZINC02367202
ZINC2367202

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Available files

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