Vitas-M small molecule compound
ethyl 6-hydroxy-1-methyl-4-(5-nitrofuran-2-yl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Catalog ID
STL090975
SMILES CCOC(=O)C1C(NC(=O)N(C1(O)C(F)(F)F)C)c1ccc(o1)[N+](=O)[O-]
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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 C13H14F3N3O7 MW 381.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14F3N3O7/c1-3-25-10(20)8-9(6-4-5-7(26-6)19(23)24)17-11(21)18(2)12(8,22)13(14,15)16/h4-5,8-9,22H,3H2,1-2H3,(H,17,21)InChIKey
FBGBAWSNIDLYTR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(NC(=O)N(C1(C(F)(F)F)O)C)C2=CC=C(O2)(N+)(=O)(O)
CCOC(=O)C1C(NC(=O)N(C1(O)C(F)(F)F)C)c1ccc(o1)(N+)(=O)(O)
ETHYL6HYDROXY1METHYL4(5NITROFURAN2YL)2OXO6(TRIFLUOROMETHYL)13DIAZINANE5CARBOXYLATE
ethyl6hydroxy1methyl4(5nitrofuran2yl)2oxo6(trifluoromethyl)hexahydropyrimidine5carboxylate
InChI=1SC13H14F3N3O7c132510(20)89(6457(266)19(23)24)1711(21)18(2)12(822)13(1415)16h458922H3H212H3(H1721)
MFCD02730749
ZINC000005592475
ZINC000106213637
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