Vitas-M small molecule compound
5-hydroxy-4-methyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Catalog ID
STK763615
SMILES N#CC1(C#N)C(c2ccccc2)C(C)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 C17H14N4O2 MW 306.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O2/c1-11-13(12-5-3-2-4-6-12)16(9-19,10-20)15(8-18)7-17(11,23)21-14(15)22/h2-6,11,13,23H,7H2,1H3,(H,21,22)InChIKey
ZGJJMIGIWNLDBB-UHFFFAOYSA-NSynonyms
307965-65-7(1R3R4S5R)5HYDROXY4METHYL7OXO3PHENYL6AZABICYCLO(321)OCTANE122TRICARBONITRILE
307965657
5hydroxy4methyl7oxo3phenyl6azabicyclo(321)octane122tricarbonitrile
CC1C(C(C2(CC1(NC2=O)O)C#N)(C#N)C#N)C3=CC=CC=C3
InChI=1SC17H14N4O2c11113(125324612)16(9191020)15(818)717(1123)2114(15)22h26111323H7H21H3(H2122)
MFCD01954019
ZINC000169414173
ZINC000169414209
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