Vitas-M small molecule compound
4-ethyl-3,5-dioxo-2-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
Catalog ID
STL447394
SMILES N#Cc1nn(c2ccccc2C(F)(F)F)c(=O)n(c1=O)CC
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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 C13H9F3N4O2 MW 310.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9F3N4O2/c1-2-19-11(21)9(7-17)18-20(12(19)22)10-6-4-3-5-8(10)13(14,15)16/h3-6H,2H2,1H3InChIKey
PYRZUGWVVQABBQ-UHFFFAOYSA-NSynonyms
4ETHYL35DIOXO2(2(TRIFLUOROMETHYL)PHENYL)124TRIAZINE6CARBONITRILE
4ethyl35dioxo2(2(trifluoromethyl)phenyl)2345tetrahydro124triazine6carbonitrile
CCN1C(=O)C(=NN(C1=O)C2=CC=CC=C2C(F)(F)F)C#N
InChI=1SC13H9F3N4O2c121911(21)9(717)1820(12(19)22)1064358(10)13(1415)16h36H2H21H3
MFCD06244320
ZINC000001408852
ZINC1408852
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