Vitas-M small molecule compound
ethyl 4-hydroxy-4-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-oxo-6-phenylhexahydropyrimidine-5-carboxylate
Catalog ID
STL438741
SMILES CCOC(=O)C1C(NC(=O)NC1(O)C(C(C(C(F)F)(F)F)(F)F)(F)F)c1ccccc1
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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 C17H16F8N2O4 MW 464.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F8N2O4/c1-2-31-11(28)9-10(8-6-4-3-5-7-8)26-13(29)27-15(9,30)17(24,25)16(22,23)14(20,21)12(18)19/h3-7,9-10,12,30H,2H2,1H3,(H2,26,27,29)InChIKey
QADQQXJZXAPJIY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(NC(=O)NC1(C(C(C(C(F)F)(F)F)(F)F)(F)F)O)C2=CC=CC=C2
ethyl4hydroxy4(11223344octafluorobutyl)2oxo6phenyl13diazinane5carboxylate
ethyl4hydroxy4(11223344octafluorobutyl)2oxo6phenylhexahydropyrimidine5carboxylate
InChI=1SC17H16F8N2O4c123111(28)910(8643578)2613(29)2715(930)17(2425)16(2223)14(2021)12(18)19h379101230H2H21H3(H2262729)
MFCD06243485
ZINC000101388118
ZINC000103406688
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