Vitas-M small molecule compound
2-amino-4,4-dimethoxy-6-methyl-6-phenyl-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile
Catalog ID
STK523722
SMILES COC1(OC)N=C(C2(C1(C#N)C2(C)c1ccccc1)C#N)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 C16H16N4O2 MW 296.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O2/c1-13(11-7-5-4-6-8-11)14(9-17)12(19)20-16(21-2,22-3)15(13,14)10-18/h4-8H,1-3H3,(H2,19,20)InChIKey
LOJDPBOYLOFHOT-UHFFFAOYSA-NSynonyms
2amino44dimethoxy6methyl6phenyl3azabicyclo(310)hex2ene15dicarbonitrile
4amino22dimethoxy6methyl6phenyl3azabicyclo(310)hex3ene15dicarbonitrile
CC1(C2(C1(C(N=C2N)(OC)OC)C#N)C#N)C3=CC=CC=C3
InChI=1SC16H16N4O2c113(117546811)14(917)12(19)2016(212223)15(1314)1018h48H13H3(H21920)
MFCD07657970
ZINC000100216708
ZINC000217743139
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