Vitas-M small molecule compound
(5E)-5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-1-(2-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK201186
SMILES O=C1NC(=O)N(C(=O)/C/1=C/c1ccc(o1)N1CCCCCC1)c1ccccc1C
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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 C22H23N3O4 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4/c1-15-8-4-5-9-18(15)25-21(27)17(20(26)23-22(25)28)14-16-10-11-19(29-16)24-12-6-2-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,23,26,28)/b17-14+InChIKey
JLCFNJIEZHVBIQ-SAPNQHFASA-NSynonyms
(5E)5((5(AZEPAN1YL)FURAN2YL)METHYLIDENE)1(2METHYLPHENYL)13DIAZINANE246TRIONE
(5E)5((5(AZEPAN1YL)FURAN2YL)METHYLIDENE)1(2METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(O3)N4CCCCCC4)C(=O)NC2=O
InChI=1SC22H23N3O4c115845918(15)2521(27)17(20(26)2322(25)28)1416101119(2916)241262371324h4581114H23671213H21H3(H232628)b1714+
MFCD04395358
O=C1NC(=O)N(C(=O)C1=Cc1ccc(o1)N1CCCCCC1)c1ccccc1C
ZINC000004739691
ZINC04739691
ZINC4739691
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