Vitas-M small molecule compound
(5E)-1-(5-chloro-2-methylphenyl)-5-({[3-(morpholin-4-ium-4-yl)propyl]amino}methylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL049357
SMILES Clc1ccc(c(c1)N1C(=O)N=C(/C(=C\NCCC[NH+]2CCOCC2)/C1=O)[O-])C
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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/c1-13-3-4-14(20)11-16(13)24-18(26)15(17(25)22-19(24)27)12-21-5-2-6-23-7-9-28-10-8-23/h3-4,11-12,21H,2,5-10H2,1H3,(H,22,25,27)/b15-12+InChIKey
OZOAEQNXFCIYHK-NTCAYCPXSA-NSynonyms
(5E)1(5chloro2methylphenyl)5(((3(morpholin4ium4yl)propyl)amino)methylidene)26dioxo1256tetrahydropyrimidin4olate
(5E)1(5CHLORO2METHYLPHENYL)5((3MORPHOLIN4IUM4YLPROPYLAMINO)METHYLIDENE)46DIOXOPYRIMIDIN2OLATE
(5E)1(5CHLORO2METHYLPHENYL)5((3MORPHOLIN4YLPROPYLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
CC1=C(C=C(C=C1)Cl)N2C(=O)C(=CNCCC(NH+)3CCOCC3)C(=O)N=C2(O)
Clc1ccc(c(c1)N1C(=O)N=C(C(=CNCCC(NH+)2CCOCC2)C1=O)(O))C
InChI=1SC19H23ClN4O4c1133414(20)1116(13)2418(26)15(17(25)2219(24)27)122152623792810823h34111221H2510H21H3(H222527)b1512+
MFCD18249259
ZINC000020502631
ZINC20502631
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