Vitas-M small molecule compound

(2E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide

Catalog ID
STK182473
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-])/C(=O)Nc1ccc(cc1)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 C20H11BrFN3O4 MW 456.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H11BrFN3O4/c21-18-10-15(25(27)28)5-7-17(18)19-8-6-16(29-19)9-12(11-23)20(26)24-14-3-1-13(22)2-4-14/h1-10H,(H,24,26)/b12-9+
InChIKey
JQDKNOWCMASWAN-FMIVXFBMSA-N
Synonyms
340305-41-1
(2E)3(5(2BROMO4NITROPHENYL)FURAN2YL)2CYANON(4FLUOROPHENYL)PROP2ENAMIDE
(E)3(5(2bromo4nitrophenyl)furan2yl)2cyanoN(4fluorophenyl)acrylamide
(E)3(5(2BROMO4NITROPHENYL)FURAN2YL)2CYANON(4FLUOROPHENYL)PROP2ENAMIDE
340305411
C1=CC(=CC=C1NC(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)(N+)(=O)(O))Br)C#N)F
InChI=1SC20H11BrFN3O4c21181015(25(27)28)5717(18)198616(2919)912(1123)20(26)24143113(22)2414h110H(H2426)b129+
MFCD02378858
N#CC(=Cc1ccc(o1)c1ccc(cc1Br)(N+)(=O)(O))C(=O)Nc1ccc(cc1)F
ZINC000001190185
ZINC01190185
ZINC1190185

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Available files

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