Vitas-M small molecule compound
(5Z)-5-[(6-bromo-1,3-benzodioxol-5-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
STK172516
SMILES O=C1NC(=O)N(C(=O)/C/1=C\c1cc2OCOc2cc1Br)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 C28H25BrN2O5 MW 549.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25BrN2O5/c29-22-10-24-23(35-14-36-24)9-18(22)8-21-25(32)30-27(34)31(26(21)33)20-3-1-19(2-4-20)28-11-15-5-16(12-28)7-17(6-15)13-28/h1-4,8-10,15-17H,5-7,11-14H2,(H,30,32,34)/b21-8-InChIKey
KUMQTHMMIYNDGR-WNFQYIGGSA-NSynonyms
(5Z)1(4(1adamantyl)phenyl)5((6bromo13benzodioxol5yl)methylidene)13diazinane246trione
(5Z)5((6bromo13benzodioxol5yl)methylidene)1(4(tricyclo(3311~37~)dec1yl)phenyl)pyrimidine246(1H3H5H)trione
C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)N5C(=O)C(=CC6=CC7=C(C=C6Br)OCO7)C(=O)NC5=O
InChI=1SC28H25BrN2O5c2922102423(35143624)918(22)82125(32)3027(34)31(26(21)33)203119(2420)281115516(1228)717(615)1328h148101517H571114H2(H303234)b218
MFCD06253170
O=C1NC(=O)N(C(=O)C1=Cc1cc2OCOc2cc1Br)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
ZINC000097960581
ZINC97960581
Check stock
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