Vitas-M small molecule compound
(5E)-5-(1-{[3-(diethylammonio)propyl]amino}ethylidene)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL055372
SMILES C=CCN1C(=O)N=C(/C(=C(\NCCC[NH+](CC)CC)/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 C16H26N4O3 MW 322.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H26N4O3/c1-5-10-20-15(22)13(14(21)18-16(20)23)12(4)17-9-8-11-19(6-2)7-3/h5,17H,1,6-11H2,2-4H3,(H,18,21,23)/b13-12+InChIKey
YWEOIHTVNBDXHK-OUKQBFOZSA-NSynonyms
(5E)5(1((3(diethylammonio)propyl)amino)ethylidene)26dioxo1(prop2en1yl)1256tetrahydropyrimidin4olate
(5E)5(1(3(DIETHYLAMINO)PROPYLAMINO)ETHYLIDENE)1PROP2ENYL13DIAZINANE246TRIONE
(5E)5(1(3(DIETHYLAZANIUMYL)PROPYLAMINO)ETHYLIDENE)46DIOXO1PROP2ENYLPYRIMIDIN2OLATE
C=CCN1C(=O)N=C(C(=C(NCCC(NH+)(CC)CC)C)C1=O)(O)
CCN(CC)CCCNC(=C1C(=O)NC(=O)N(C1=O)CC=C)C
InChI=1SC16H26N4O3c15102015(22)13(14(21)1816(20)23)12(4)17981119(62)73h517H1611H224H3(H182123)b1312+
MFCD18249673
ZINC000020329190
ZINC20329190
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