Vitas-M small molecule compound

2-amino-4,4-diethoxy-6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Catalog ID
STK523726
SMILES CCOC1(OCC)N=C(C2(C1(C#N)C2c1ccccc1F)C#N)N

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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 C17H17FN4O2 MW 328.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17FN4O2/c1-3-23-17(24-4-2)16(10-20)13(11-7-5-6-8-12(11)18)15(16,9-19)14(21)22-17/h5-8,13H,3-4H2,1-2H3,(H2,21,22)
InChIKey
JLVQOIUVWRBVHK-UHFFFAOYSA-N
Synonyms

2amino44diethoxy6(2fluorophenyl)3azabicyclo(310)hex2ene15dicarbonitrile
4amino22diethoxy6(2fluorophenyl)3azabicyclo(310)hex3ene15dicarbonitrile
CCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC=CC=C3F)C#N)OCC
InChI=1SC17H17FN4O2c132317(2442)16(1020)13(11756812(11)18)15(16919)14(21)2217h5813H34H212H3(H22122)
MFCD04096671
ZINC000103010370
ZINC000230025406

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Available files

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