Vitas-M small molecule compound
(5Z)-5-{[(1-benzylpiperidinium-4-yl)amino]methylidene}-1-[2-(cyclohex-1-en-1-yl)ethyl]-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL041335
SMILES O=C1N=C([O-])/C(=C/NC2CC[NH+](CC2)Cc2ccccc2)/C(=O)N1CCC1=CCCCC1
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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 C25H32N4O3 MW 436.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O3/c30-23-22(24(31)29(25(32)27-23)16-11-19-7-3-1-4-8-19)17-26-21-12-14-28(15-13-21)18-20-9-5-2-6-10-20/h2,5-7,9-10,17,21,26H,1,3-4,8,11-16,18H2,(H,27,30,32)/b22-17-InChIKey
LELIYQCCMFEHOH-XLNRJJMWSA-NSynonyms
(5Z)5(((1benzylpiperidin1ium4yl)amino)methylidene)1(2(cyclohexen1yl)ethyl)46dioxopyrimidin2olate
(5Z)5(((1BENZYLPIPERIDIN4YL)AMINO)METHYLIDENE)1(2(CYCLOHEXEN1YL)ETHYL)13DIAZINANE246TRIONE
(5Z)5(((1benzylpiperidinium4yl)amino)methylidene)1(2(cyclohex1en1yl)ethyl)26dioxo1256tetrahydropyrimidin4olate
C1CCC(=CC1)CCN2C(=O)C(=CNC3CC(NH+)(CC3)CC4=CC=CC=C4)C(=O)N=C2(O)
InChI=1SC25H32N4O3c302322(24(31)29(25(32)2723)1611197314819)172621121428(151321)182095261020h257910172126H1348111618H2(H273032)b2217
MFCD18248087
O=C1N=C((O))C(=CNC2CC(NH+)(CC2)Cc2ccccc2)C(=O)N1CCC1=CCCCC1
ZINC000020502361
ZINC20502361
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