Vitas-M small molecule compound
3-ethyl-5-oxo-2-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-triazine-6-carbonitrile
Catalog ID
STL447918
SMILES CCc1nc(=O)c(nn1c1ccc(cc1)C(F)(F)F)C#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 C13H9F3N4O MW 294.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9F3N4O/c1-2-11-18-12(21)10(7-17)19-20(11)9-5-3-8(4-6-9)13(14,15)16/h3-6H,2H2,1H3InChIKey
HSGSVOSMNCETBA-UHFFFAOYSA-NSynonyms
3ETHYL5OXO2(4(TRIFLUOROMETHYL)PHENYL)124TRIAZINE6CARBONITRILE
3ethyl5oxo2(4(trifluoromethyl)phenyl)25dihydro124triazine6carbonitrile
CCC1=NC(=O)C(=NN1C2=CC=C(C=C2)C(F)(F)F)C#N
InChI=1SC13H9F3N4Oc12111812(21)10(717)1920(11)9538(469)13(1415)16h36H2H21H3
MFCD07773504
ZINC000005274203
ZINC5274203
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