Vitas-M small molecule compound
5-hydroxy-3-(4-methoxyphenyl)-8-methyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Catalog ID
STK762736
SMILES N#CC1(C#N)C(CC2(C(C1(C#N)C(=O)N2)C)O)c1ccc(cc1)OC
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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 C18H16N4O3 MW 336.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O3/c1-11-17(10-21)15(23)22-18(11,24)7-14(16(17,8-19)9-20)12-3-5-13(25-2)6-4-12/h3-6,11,14,24H,7H2,1-2H3,(H,22,23)InChIKey
UOJQEHSZVBJXEH-UHFFFAOYSA-NSynonyms
342405-77-01HYDROXY3(4METHOXYPHENYL)8METHYL6OXO7AZABICYCLO(321)OCTANE445TRICARBONITRILE
342405770
5hydroxy3(4methoxyphenyl)8methyl7oxo6azabicyclo(321)octane122tricarbonitrile
CC1C2(CC(C(C1(C(=O)N2)C#N)(C#N)C#N)C3=CC=C(C=C3)OC)O
InChI=1SC18H16N4O3c11117(1021)15(23)2218(1124)714(16(17819)920)123513(252)6412h36111424H7H212H3(H2223)
MFCD01956014
ZINC000135985336
ZINC000169305081
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