Vitas-M small molecule compound
ethyl 4-[(E)-2-(dimethylamino)ethenyl]-7-(trifluoromethyl)[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxylate
Catalog ID
STL247651
SMILES CCOC(=O)c1nnc2n(c1/C=C/N(C)C)nc(n2)C(F)(F)F
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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 C12H13F3N6O2 MW 330.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13F3N6O2/c1-4-23-9(22)8-7(5-6-20(2)3)21-11(18-17-8)16-10(19-21)12(13,14)15/h5-6H,4H2,1-3H3/b6-5+InChIKey
GUMDKHHNOWKWNZ-AATRIKPKSA-NSynonyms
1351705-55-9(E)ethyl4(2(dimethylamino)vinyl)7(trifluoromethyl)(124)triazolo(51c)(124)triazine3carboxylate
1351705559
CCOC(=O)C1=C(N2C(=NC(=N2)C(F)(F)F)N=N1)C=CN(C)C
CCOC(=O)c1nnc2n(c1C=CN(C)C)nc(n2)C(F)(F)F
ethyl4((E)2(dimethylamino)ethenyl)7(trifluoromethyl)(124)triazolo(51c)(124)triazine3carboxylate
InChI=1SC12H13F3N6O2c14239(22)87(5620(2)3)2111(18178)1610(1921)12(1314)15h56H4H213H3b65+
MFCD20536468
ZINC000072401347
ZINC72401347
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