Vitas-M small molecule compound
(5E)-5-(1-{[3-(diethylammonio)propyl]amino}propylidene)-1-(4-methylphenyl)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL053236
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)[O-])/NCCC[NH+](CC)CC
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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 C21H30N4O3 MW 386.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O3/c1-5-17(22-13-8-14-24(6-2)7-3)18-19(26)23-21(28)25(20(18)27)16-11-9-15(4)10-12-16/h9-12,22H,5-8,13-14H2,1-4H3,(H,23,26,28)/b18-17+InChIKey
WIAXFWJBKVDRSA-ISLYRVAYSA-NSynonyms
(5E)5(1((3(diethylammonio)propyl)amino)propylidene)1(4methylphenyl)26dioxo1256tetrahydropyrimidin4olate
(5E)5(1(3(DIETHYLAMINO)PROPYLAMINO)PROPYLIDENE)1(4METHYLPHENYL)13DIAZINANE246TRIONE
CCC(=C1C(=NC(=O)N(C1=O)c1ccc(cc1)C)(O))NCCC(NH+)(CC)CC
CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)C)NCCCN(CC)CC
InChI=1SC21H30N4O3c1517(221381424(62)73)1819(26)2321(28)25(20(18)27)1611915(4)101216h91222H581314H214H3(H232628)b1817+
MFCD18249524
ZINC000020330424
ZINC20330424
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