Vitas-M small molecule compound
(5E)-1-butyl-5-(1-{[3-(morpholin-4-ium-4-yl)propyl]amino}ethylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL056891
SMILES CCCCN1C(=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 C17H28N4O4 MW 352.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H28N4O4/c1-3-4-8-21-16(23)14(15(22)19-17(21)24)13(2)18-6-5-7-20-9-11-25-12-10-20/h18H,3-12H2,1-2H3,(H,19,22,24)/b14-13+InChIKey
KTKOVKHDVGUIJF-BUHFOSPRSA-NSynonyms
(5E)1butyl5(1((3(morpholin4ium4yl)propyl)amino)ethylidene)26dioxo1256tetrahydropyrimidin4olate
(5E)1BUTYL5(1(3MORPHOLIN4IUM4YLPROPYLAMINO)ETHYLIDENE)46DIOXOPYRIMIDIN2OLATE
(5E)1BUTYL5(1(3MORPHOLIN4YLPROPYLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
CCCCN1C(=O)C(=C(C)NCCC(NH+)2CCOCC2)C(=O)N=C1(O)
CCCCN1C(=O)N=C(C(=C(NCCC(NH+)2CCOCC2)C)C1=O)(O)
InChI=1SC17H28N4O4c13482116(23)14(15(22)1917(21)24)13(2)186572091125121020h18H312H212H3(H192224)b1413+
MFCD18249778
ZINC000020266052
ZINC20266052
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