Vitas-M small molecule compound
4-bromo-5-hydroxy-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Catalog ID
STL327811
SMILES N#CC1(C#N)C(c2ccccc2)C(Br)C2(CC1(C#N)C(=O)N2)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 C16H11BrN4O2 MW 371.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11BrN4O2/c17-12-11(10-4-2-1-3-5-10)15(8-19,9-20)14(7-18)6-16(12,23)21-13(14)22/h1-5,11-12,23H,6H2,(H,21,22)InChIKey
RZIYULXBHNHLCK-UHFFFAOYSA-NSynonyms
307965-68-0(1S3S4R5S)4BROMO5HYDROXY7OXO3PHENYL6AZABICYCLO(321)OCTANE122TRICARBONITRILE
307965680
4bromo5hydroxy7oxo3phenyl6azabicyclo(321)octane122tricarbonitrile
C1C2(C(=O)NC1(C(C(C2(C#N)C#N)C3=CC=CC=C3)Br)O)C#N
InChI=1SC16H11BrN4O2c171211(104213510)15(819920)14(718)616(1223)2113(14)22h15111223H6H2(H2122)
MFCD01953020
ZINC000002286226
ZINC000245312045
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