Vitas-M small molecule compound
ethyl 4-hydroxy-6-(3-nitrophenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Catalog ID
STL091043
SMILES CCOC(=O)C1C(NC(=S)NC1(O)C(F)(F)F)c1cccc(c1)[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 C14H14F3N3O5S MW 393.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14F3N3O5S/c1-2-25-11(21)9-10(7-4-3-5-8(6-7)20(23)24)18-12(26)19-13(9,22)14(15,16)17/h3-6,9-10,22H,2H2,1H3,(H2,18,19,26)InChIKey
XHAVSRIVCHTHDE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC(=CC=C2)(N+)(=O)(O)
CCOC(=O)C1C(NC(=S)NC1(O)C(F)(F)F)c1cccc(c1)(N+)(=O)(O)
ETHYL(4R5R6R)4HYDROXY6(3NITROPHENYL)2THIOXO4(TRIFLUOROMETHYL)HEXAHYDROPYRIMIDINE5CARBOXYLATE
ETHYL4HYDROXY6(3NITROPHENYL)2SULFANYLIDENE4(TRIFLUOROMETHYL)13DIAZINANE5CARBOXYLATE
ethyl4hydroxy6(3nitrophenyl)2thioxo4(trifluoromethyl)hexahydropyrimidine5carboxylate
InChI=1SC14H14F3N3O5Sc122511(21)910(74358(67)20(23)24)1812(26)1913(922)14(1516)17h3691022H2H21H3(H2181926)
MFCD02328026
ZINC000000946521
ZINC000011691743
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