Vitas-M small molecule compound
1-(4-methylphenyl)-4-oxo-1,4,6,7,8,9,10,10a-octahydro[1,2,4]triazino[4,3-a]azepine-3-carbonitrile
Catalog ID
STL442223
SMILES N#CC1=NN(c2ccc(cc2)C)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 C16H18N4O MW 282.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O/c1-12-6-8-13(9-7-12)20-15-5-3-2-4-10-19(15)16(21)14(11-17)18-20/h6-9,15H,2-5,10H2,1H3InChIKey
LVTRHUCAWCZYEG-UHFFFAOYSA-NSynonyms
1(4methylphenyl)4oxo1467891010aoctahydro(124)triazino(43a)azepine3carbonitrile
1(4methylphenyl)4oxo67891010ahexahydro(124)triazino(43a)azepine3carbonitrile
CC1=CC=C(C=C1)N2C3CCCCCN3C(=O)C(=N2)C#N
InChI=1SC16H18N4Oc1126813(9712)201553241019(15)16(21)14(1117)1820h6915H2510H21H3
MFCD11707356
ZINC000033436179
ZINC000033436180
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