Vitas-M small molecule compound
5-hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Catalog ID
STK763279
SMILES CCCC1CC2(O)NC(=O)C(C1(C#N)C#N)(C2)C#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 C13H14N4O2 MW 258.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O2/c1-2-3-9-4-13(19)5-11(6-14,10(18)17-13)12(9,7-15)8-16/h9,19H,2-5H2,1H3,(H,17,18)InChIKey
VNMZDLQMJGAUBM-UHFFFAOYSA-NSynonyms
(1R3R5S)5HYDROXY7OXO3PROPYL6AZABICYCLO(321)OCTANE122TRICARBONITRILE
1HYDROXY6OXO3PROPYL7AZABICYCLO(321)OCTANE445TRICARBONITRILE
5hydroxy7oxo3propyl6azabicyclo(321)octane122tricarbonitrile
6AZABICYCLO(321)OCTANE122TRICARBONITRILE5HYDROXY7OXO3PROPYL
CCCC1CC2(CC(C1(C#N)C#N)(C(=O)N2)C#N)O
InChI=1SC13H14N4O2c1239413(19)511(61410(18)1713)12(9715)816h919H25H21H3(H1718)
MFCD01952100
ZINC000102993618
ZINC000102993621
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