Vitas-M small molecule compound
(5E)-1-(4-methylphenyl)-5-(1-{[3-(morpholin-4-ium-4-yl)propyl]amino}propylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL041166
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)[O-])/NCCC[NH+]1CCOCC1
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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 C21H28N4O4 MW 400.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O4/c1-3-17(22-9-4-10-24-11-13-29-14-12-24)18-19(26)23-21(28)25(20(18)27)16-7-5-15(2)6-8-16/h5-8,22H,3-4,9-14H2,1-2H3,(H,23,26,28)/b18-17+InChIKey
VCLBCMWKPKNKLS-ISLYRVAYSA-NSynonyms
(5E)1(4methylphenyl)5(1((3(morpholin4ium4yl)propyl)amino)propylidene)26dioxo1256tetrahydropyrimidin4olate
(5E)1(4methylphenyl)5(1(3morpholin4ium4ylpropylamino)propylidene)46dioxopyrimidin2olate
(5E)1(4METHYLPHENYL)5(1(3MORPHOLIN4YLPROPYLAMINO)PROPYLIDENE)13DIAZINANE246TRIONE
CCC(=C1C(=NC(=O)N(C1=O)c1ccc(cc1)C)(O))NCCC(NH+)1CCOCC1
CCC(=C1C(=O)N=C(N(C1=O)C2=CC=C(C=C2)C)(O))NCCC(NH+)3CCOCC3
InChI=1SC21H28N4O4c1317(22941024111329141224)1819(26)2321(28)25(20(18)27)167515(2)6816h5822H34914H212H3(H232628)b1817+
MFCD18248080
ZINC000020291178
ZINC20291178
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