Vitas-M small molecule compound
(5E)-1-butyl-5-(1-{[2-(diethylammonio)ethyl]amino}ethylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STK568639
SMILES CCCCN1C(=O)N=C(/C(=C(\NCC[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 C16H28N4O3 MW 324.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H28N4O3/c1-5-8-10-20-15(22)13(14(21)18-16(20)23)12(4)17-9-11-19(6-2)7-3/h17H,5-11H2,1-4H3,(H,18,21,23)/b13-12+InChIKey
RBRVLFBPYAWKTG-OUKQBFOZSA-NSynonyms
(5E)1butyl5(1((2(diethylammonio)ethyl)amino)ethylidene)26dioxo1256tetrahydropyrimidin4olate
(5E)1BUTYL5(1(2(DIETHYLAZANIUMYL)ETHYLAMINO)ETHYLIDENE)46DIOXOPYRIMIDIN2OLATE
(5E)1BUTYL5(1(2DIETHYLAMINOETHYLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
CCCCN1C(=O)C(=C(C)NCC(NH+)(CC)CC)C(=O)N=C1(O)
CCCCN1C(=O)N=C(C(=C(NCC(NH+)(CC)CC)C)C1=O)(O)
InChI=1SC16H28N4O3c158102015(22)13(14(21)1816(20)23)12(4)1791119(62)73h17H511H214H3(H182123)b1312+
MFCD18245243
ZINC000020330275
ZINC20330275
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