Vitas-M small molecule compound
(5E)-5-(3-bromo-4-methoxybenzylidene)-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK101371
SMILES COc1ccc(cc1Br)/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 C28H27BrN2O4 MW 535.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrN2O4/c1-35-24-7-2-16(12-23(24)29)11-22-25(32)30-27(34)31(26(22)33)21-5-3-20(4-6-21)28-13-17-8-18(14-28)10-19(9-17)15-28/h2-7,11-12,17-19H,8-10,13-15H2,1H3,(H,30,32,34)/b22-11+InChIKey
SIMNUWALCDXBBG-SSDVNMTOSA-NSynonyms
(5E)1(4(1ADAMANTYL)PHENYL)5((3BROMO4METHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)5(3bromo4methoxybenzylidene)1(4(tricyclo(3311~37~)dec1yl)phenyl)pyrimidine246(1H3H5H)trione
COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)Br
COc1ccc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
InChI=1SC28H27BrN2O4c135247216(1223(24)29)112225(32)3027(34)31(26(22)33)215320(4621)281317818(1428)1019(917)1528h2711121719H8101315H21H3(H303234)b2211+
MFCD03063888
ZINC000097959497
ZINC97959497
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