Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-2,6-dioxo-5-(1-{[3-(piperidinium-1-yl)propyl]amino}propylidene)-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL041339
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)[O-])/NCCC[NH+]1CCCCC1
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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 C21H27ClN4O3 MW 418.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN4O3/c1-2-17(23-11-6-14-25-12-4-3-5-13-25)18-19(27)24-21(29)26(20(18)28)16-9-7-15(22)8-10-16/h7-10,23H,2-6,11-14H2,1H3,(H,24,27,29)/b18-17+InChIKey
YBROXGMSEDEQDW-ISLYRVAYSA-NSynonyms
(5E)1(4chlorophenyl)26dioxo5(1((3(piperidinium1yl)propyl)amino)propylidene)1256tetrahydropyrimidin4olate
(5E)1(4CHLOROPHENYL)5(1(3PIPERIDIN1YLPROPYLAMINO)PROPYLIDENE)13DIAZINANE246TRIONE
CCC(=C1C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)(O))NCCC(NH+)1CCCCC1
CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)NCCCN3CCCCC3
InChI=1SC21H27ClN4O3c1217(231161425124351325)1819(27)2421(29)26(20(18)28)169715(22)81016h71023H261114H21H3(H242729)b1817+
MFCD18248088
ZINC000020291485
ZINC20291485
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