Vitas-M small molecule compound
1-(2,4-dichlorophenyl)-4-oxo-1,4,6,7,8,9,10,10a-octahydro[1,2,4]triazino[4,3-a]azepine-3-carbonitrile
Catalog ID
STL442224
SMILES N#CC1=NN(C2N(C1=O)CCCCC2)c1ccc(cc1Cl)Cl
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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 C15H14Cl2N4O MW 337.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14Cl2N4O/c16-10-5-6-13(11(17)8-10)21-14-4-2-1-3-7-20(14)15(22)12(9-18)19-21/h5-6,8,14H,1-4,7H2InChIKey
UPNJAXFDUAVGLY-UHFFFAOYSA-NSynonyms
1(24dichlorophenyl)4oxo1467891010aoctahydro(124)triazino(43a)azepine3carbonitrile
1(24dichlorophenyl)4oxo67891010ahexahydro(124)triazino(43a)azepine3carbonitrile
C1CCC2N(CC1)C(=O)C(=NN2C3=C(C=C(C=C3)Cl)Cl)C#N
InChI=1SC15H14Cl2N4Oc16105613(11(17)810)21144213720(14)15(22)12(918)1921h56814H147H2
MFCD11707357
ZINC000033436181
ZINC000033436182
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