Vitas-M small molecule compound
1-[4-(benzyloxy)phenyl]-4-oxo-1,4,6,7,8,9,10,10a-octahydro[1,2,4]triazino[4,3-a]azepine-3-carbonitrile
Catalog ID
STL442222
SMILES N#CC1=NN(c2ccc(cc2)OCc2ccccc2)C2N(C1=O)CCCCC2
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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 C22H22N4O2 MW 374.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2/c23-15-20-22(27)25-14-6-2-5-9-21(25)26(24-20)18-10-12-19(13-11-18)28-16-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,21H,2,5-6,9,14,16H2InChIKey
AGKLEMRDUDUPGJ-UHFFFAOYSA-NSynonyms
1(4(benzyloxy)phenyl)4oxo1467891010aoctahydro(124)triazino(43a)azepine3carbonitrile
4oxo1(4phenylmethoxyphenyl)67891010ahexahydro(124)triazino(43a)azepine3carbonitrile
C1CCC2N(CC1)C(=O)C(=NN2C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N
InChI=1SC22H22N4O2c23152022(27)2514625921(25)26(2420)18101219(131118)2816177314817h13478101321H25691416H2
MFCD11707355
ZINC000033436177
ZINC000033436178
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