Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-5-(1-{[3-(morpholin-4-ium-4-yl)propyl]amino}ethylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL054151
SMILES Clc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCCC[NH+]2CCOCC2)/C)/C1=O)[O-]
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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 C19H23ClN4O4 MW 406.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23ClN4O4/c1-13(21-7-2-8-23-9-11-28-12-10-23)16-17(25)22-19(27)24(18(16)26)15-5-3-14(20)4-6-15/h3-6,21H,2,7-12H2,1H3,(H,22,25,27)/b16-13+InChIKey
WLSUUKMMDIEGNZ-DTQAZKPQSA-NSynonyms
(5E)1(4chlorophenyl)5(1((3(morpholin4ium4yl)propyl)amino)ethylidene)26dioxo1256tetrahydropyrimidin4olate
(5E)1(4CHLOROPHENYL)5(1(3MORPHOLIN4IUM4YLPROPYLAMINO)ETHYLIDENE)46DIOXOPYRIMIDIN2OLATE
(5E)1(4CHLOROPHENYL)5(1(3MORPHOLIN4YLPROPYLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)NCCCN3CCOCC3
Clc1ccc(cc1)N1C(=O)N=C(C(=C(NCCC(NH+)2CCOCC2)C)C1=O)(O)
InChI=1SC19H23ClN4O4c113(217282391128121023)1617(25)2219(27)24(18(16)26)155314(20)4615h3621H2712H21H3(H222527)b1613+
MFCD18249582
ZINC000020267005
ZINC20267005
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