Vitas-M small molecule compound
(5E)-5-[(5-iodofuran-2-yl)methylidene]-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170838
SMILES Ic1ccc(o1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
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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 C25H23IN2O4 MW 542.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23IN2O4/c26-21-6-5-19(32-21)10-20-22(29)27-24(31)28(23(20)30)18-3-1-17(2-4-18)25-11-14-7-15(12-25)9-16(8-14)13-25/h1-6,10,14-16H,7-9,11-13H2,(H,27,29,31)/b20-10+InChIKey
AHDWHLFNINORNS-KEBDBYFISA-NSynonyms
(5E)1(4(1adamantyl)phenyl)5((5iodofuran2yl)methylidene)13diazinane246trione
(5E)5((5iodofuran2yl)methylidene)1(4(tricyclo(3311~37~)dec1yl)phenyl)pyrimidine246(1H3H5H)trione
C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)N5C(=O)C(=CC6=CC=C(O6)I)C(=O)NC5=O
Ic1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
InChI=1SC25H23IN2O4c26216519(3221)102022(29)2724(31)28(23(20)30)183117(2418)251114715(1225)916(814)1325h16101416H791113H2(H272931)b2010+
MFCD02602736
ZINC000097960564
ZINC97960564
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