Vitas-M small molecule compound
ethyl 7-(furan-3-yl)-5-hydroxy-5-(trifluoromethyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STL174174
SMILES CCOC(=O)C1C(c2cocc2)n2ncnc2NC1(O)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 C13H13F3N4O4 MW 346.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13F3N4O4/c1-2-24-10(21)8-9(7-3-4-23-5-7)20-11(17-6-18-20)19-12(8,22)13(14,15)16/h3-6,8-9,22H,2H2,1H3,(H,17,18,19)InChIKey
XSVAACVPRQYBTK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(N2C(=NC1(C(F)(F)F)O)N=CN2)C3=COC=C3
ethyl7(furan3yl)5hydroxy5(trifluoromethyl)4567tetrahydro(124)triazolo(15a)pyrimidine6carboxylate
ethyl7(furan3yl)5hydroxy5(trifluoromethyl)67dihydro1H(124)triazolo(15a)pyrimidine6carboxylate
InChI=1SC13H13F3N4O4c122410(21)89(7342357)2011(1761820)1912(822)13(1415)16h368922H2H21H3(H171819)
MFCD08553977
ZINC000036612192
ZINC000103156642
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