Vitas-M small molecule compound
[4-(2-hydroxy-6,8-dimethyl-5,7-dioxo-3,4,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4-yl)-2-methoxyphenoxy]acetonitrile
Catalog ID
STK637126
SMILES N#CCOc1ccc(cc1OC)C1NC(=Nc2c1c(=O)n(C)c(=O)n2C)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 C17H17N5O5 MW 371.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O5/c1-21-14-12(15(23)22(2)17(21)25)13(19-16(24)20-14)9-4-5-10(27-7-6-18)11(8-9)26-3/h4-5,8,13H,7H2,1-3H3,(H2,19,20,24)InChIKey
QRGUMBHVAMJZDG-UHFFFAOYSA-NSynonyms
1081121-05-2(4(2hydroxy68dimethyl57dioxo345678hexahydropyrimido(45d)pyrimidin4yl)2methoxyphenoxy)acetonitrile
1081121052
2(4(13dimethyl247trioxo68dihydro5Hpyrimido(45d)pyrimidin5yl)2methoxyphenoxy)acetonitrile
CN1C2=C(C(NC(=O)N2)C3=CC(=C(C=C3)OCC#N)OC)C(=O)N(C1=O)C
InChI=1SC17H17N5O5c1211412(15(23)22(2)17(21)25)13(1916(24)2014)94510(277618)11(89)263h45813H7H213H3(H2192024)
MFCD18161280
ZINC000020727561
ZINC000020727566
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