Vitas-M small molecule compound
7-bromo-1-hydroxy-3-oxo-8-phenyl-2-azabicyclo[2.2.2]octane-4,5,5-tricarbonitrile
Catalog ID
STK675759
SMILES N#CC12C(=O)NC(C(C1c1ccccc1)Br)(CC2(C#N)C#N)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(9-20)13(22)21-16(12,23)6-14(15,7-18)8-19/h1-5,11-12,23H,6H2,(H,21,22)InChIKey
PHHURESSVHMUKY-UHFFFAOYSA-NSynonyms
318466-17-0(1S4S7R8S)7BROMO1HYDROXY3OXO8PHENYL2AZABICYCLO(222)OCTANE455TRICARBONITRILE
2AZABICYCLO(222)OCTANE455TRICARBONITRILE7BROMO1HYDROXY3OXO8PHENYL
318466170
6BROMO1HYDROXY3OXO5PHENYL2AZABICYCLO(222)OCTANE488TRICARBONITRILE
7bromo1hydroxy3oxo8phenyl2azabicyclo(222)octane455tricarbonitrile
C1C(C2(C(C(C1(NC2=O)O)Br)C3=CC=CC=C3)C#N)(C#N)C#N
InChI=1SC16H11BrN4O2c171211(104213510)15(920)13(22)2116(1223)614(15718)819h15111223H6H2(H2122)
MFCD01820456
ZINC000102991263
ZINC000229986065
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