Vitas-M small molecule compound
5-hydroxy-3-(4-methoxyphenyl)-7-oxo-4-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Catalog ID
STK764850
SMILES CCCC1C(c2ccc(cc2)OC)C(C#N)(C#N)C2(CC1(O)NC2=O)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 C20H20N4O3 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3/c1-3-4-15-16(13-5-7-14(27-2)8-6-13)19(11-22,12-23)18(10-21)9-20(15,26)24-17(18)25/h5-8,15-16,26H,3-4,9H2,1-2H3,(H,24,25)InChIKey
YLKIZWGGFIUOGY-UHFFFAOYSA-NSynonyms
435343-08-1435343081
5HYDROXY3(4METHOXYPHENYL)7OXO4PROPYL6AZABICYCLO(321)OCTANE122TRICARBONITRILE
CCCC1C(C(C2(CC1(NC2=O)O)C#N)(C#N)C#N)C3=CC=C(C=C3)OC
InChI=1SC20H20N4O3c1341516(135714(272)8613)19(11221223)18(1021)920(1526)2417(18)25h58151626H349H212H3(H2425)
MFCD01944354
ZINC000169616637
ZINC000169616640
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