Vitas-M small molecule compound
5-hydroxy-3-(4-methoxyphenyl)-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Catalog ID
STK763911
SMILES N#CC1(C#N)C(CC2(CC1(C#N)C(=O)N2)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 C17H14N4O3 MW 322.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O3/c1-24-12-4-2-11(3-5-12)13-6-17(23)7-15(8-18,14(22)21-17)16(13,9-19)10-20/h2-5,13,23H,6-7H2,1H3,(H,21,22)InChIKey
TUBSHGMYUSIEGO-UHFFFAOYSA-NSynonyms
367928-15-21HYDROXY3(4METHOXYPHENYL)6OXO7AZABICYCLO(321)OCTANE445TRICARBONITRILE
367928152
5hydroxy3(4methoxyphenyl)7oxo6azabicyclo(321)octane122tricarbonitrile
COC1=CC=C(C=C1)C2CC3(CC(C2(C#N)C#N)(C(=O)N3)C#N)O
InChI=1SC17H14N4O3c124124211(3512)13617(23)715(81814(22)2117)16(13919)1020h251323H67H21H3(H2122)
MFCD01944327
ZINC000102675016
ZINC000102675018
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