Vitas-M small molecule compound

(2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3-nitrobenzoate

Catalog ID
STK577103
SMILES O=C(c1cccc(c1)[N+](=O)[O-])Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)/C2=O

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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 C22H11ClFNO6 MW 439.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H11ClFNO6/c23-17-5-2-6-18(24)16(17)11-20-21(26)15-8-7-14(10-19(15)31-20)30-22(27)12-3-1-4-13(9-12)25(28)29/h1-11H/b20-11-
InChIKey
XOAAHTJFEJHVDY-JAIQZWGSSA-N
Synonyms
892628-79-4
((2Z)2((2CHLORO6FLUOROPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)3NITROBENZOATE
(2Z)2(2chloro6fluorobenzylidene)3oxo23dihydro1benzofuran6yl3nitrobenzoate
(Z)2(2chloro6fluorobenzylidene)3oxo23dihydrobenzofuran6yl3nitrobenzoate
2((6CHLORO2FLUOROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL3NITROBENZOATE
892628794
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=C(C=CC=C4Cl)F)O3
InChI=1SC22H11ClFNO6c231752618(24)16(17)112021(26)158714(1019(15)3120)3022(27)1231413(912)25(28)29h111Hb2011
MFCD06789132
O=C(c1cccc(c1)(N+)(=O)(O))Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O
ZINC000009319309
ZINC09319309
ZINC9319309

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Available files

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