Vitas-M small molecule compound
(5E)-1-butyl-2,6-dioxo-5-({[2-(piperidinium-1-yl)ethyl]amino}methylidene)-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STK569395
SMILES CCCCN1C(=O)N=C(/C(=C\NCC[NH+]2CCCCC2)/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/c1-2-3-10-20-15(22)13(14(21)18-16(20)23)12-17-7-11-19-8-5-4-6-9-19/h12,17H,2-11H2,1H3,(H,18,21,23)/b13-12+InChIKey
SMSGYVPTKNHVGD-OUKQBFOZSA-NSynonyms
(5E)1butyl26dioxo5(((2(piperidinium1yl)ethyl)amino)methylidene)1256tetrahydropyrimidin4olate
(5E)1BUTYL46DIOXO5((2PIPERIDIN1IUM1YLETHYLAMINO)METHYLIDENE)PYRIMIDIN2OLATE
(5E)1BUTYL5((2PIPERIDIN1YLETHYLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
CCCCN1C(=O)C(=CNCCN2CCCCC2)C(=O)NC1=O
CCCCN1C(=O)N=C(C(=CNCC(NH+)2CCCCC2)C1=O)(O)
InChI=1SC16H26N4O3c123102015(22)13(14(21)1816(20)23)1217711198546919h1217H211H21H3(H182123)b1312+
MFCD18245287
ZINC000100788531
ZINC100788531
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