Vitas-M small molecule compound
5-hydroxy-3-(4-methoxyphenyl)-4-methyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Catalog ID
STK763545
SMILES N#CC1(C#N)C(c2ccc(cc2)OC)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 C18H16N4O3 MW 336.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O3/c1-11-14(12-3-5-13(25-2)6-4-12)17(9-20,10-21)16(8-19)7-18(11,24)22-15(16)23/h3-6,11,14,24H,7H2,1-2H3,(H,22,23)InChIKey
LSFCELFCWAUWCH-UHFFFAOYSA-NSynonyms
307965-67-9(1R3R4S5R)5HYDROXY3(4METHOXYPHENYL)4METHYL7OXO6AZABICYCLO(321)OCTANE122TRICARBONITRILE
307965679
5hydroxy3(4methoxyphenyl)4methyl7oxo6azabicyclo(321)octane122tricarbonitrile
6AZABICYCLO(321)OCTANE122TRICARBONITRILE5HYDROXY3(4METHOXYPHENYL)4METHYL7OXO
CC1C(C(C2(CC1(NC2=O)O)C#N)(C#N)C#N)C3=CC=C(C=C3)OC
InChI=1SC18H16N4O3c11114(123513(252)6412)17(9201021)16(819)718(1124)2215(16)23h36111424H7H212H3(H2223)
MFCD01949543
ZINC000169298704
ZINC000169298707
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