Vitas-M small molecule compound
(5E)-5-[4-(azepan-1-yl)benzylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK575406
SMILES CCCCN1C(=O)N=C(/C(=C\c2ccc(cc2)N2CCCCCC2)/C1=O)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 C21H27N3O3 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3/c1-2-3-14-24-20(26)18(19(25)22-21(24)27)15-16-8-10-17(11-9-16)23-12-6-4-5-7-13-23/h8-11,15H,2-7,12-14H2,1H3,(H,22,25,27)/b18-15+InChIKey
WJKGCZDFUYJCLY-OBGWFSINSA-NSynonyms
(5E)5((4(azepan1yl)phenyl)methylidene)1butyl13diazinane246trione
(5E)5(4(azepan1yl)benzylidene)3butyl6hydroxypyrimidine24(3H5H)dione
CCCCN1C(=O)N=C(C(=Cc2ccc(cc2)N2CCCCCC2)C1=O)O
InChI=1SC21H27N3O3c123142420(26)18(19(25)2221(24)27)151681017(11916)231264571323h81115H271214H21H3(H222527)b1815+
MFCD07203304
ZINC000009111613
ZINC09111613
ZINC9111613
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