Vitas-M small molecule compound

4-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]-2-methoxyphenyl 4-fluorobenzoate

Catalog ID
STK380483
SMILES N#C/C(=C/c1ccc(c(c1)OC)OC(=O)c1ccc(cc1)F)/c1ccc(cc1)[N+](=O)[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 C23H15FN2O5 MW 418.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15FN2O5/c1-30-22-13-15(12-18(14-25)16-5-9-20(10-6-16)26(28)29)2-11-21(22)31-23(27)17-3-7-19(24)8-4-17/h2-13H,1H3/b18-12-
InChIKey
CJSZMFJQSXHMIR-PDGQHHTCSA-N
Synonyms

(4((E)2cyano2(4nitrophenyl)ethenyl)2methoxyphenyl)4fluorobenzoate
4((1E)2CYANO2(4NITROPHENYL)VINYL)2METHOXYPHENYL4FLUOROBENZOATE
4((E)2cyano2(4nitrophenyl)ethenyl)2methoxyphenyl4fluorobenzoate
COC1=C(C=CC(=C1)C=C(C#N)C2=CC=C(C=C2)(N+)(=O)(O))OC(=O)C3=CC=C(C=C3)F
InChI=1SC23H15FN2O5c130221315(1218(1425)165920(10616)26(28)29)21121(22)3123(27)173719(24)8417h213H1H3b1812
MFCD02127064
N#CC(=Cc1ccc(c(c1)OC)OC(=O)c1ccc(cc1)F)c1ccc(cc1)(N+)(=O)(O)
ZINC000008861737
ZINC08861737
ZINC8861737

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Available files

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