Vitas-M small molecule compound
1-butyl-5-[(S)-(1-butyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridinium-4-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STK526037
SMILES CCCCn1c(=O)[nH]c(=O)c(c1O)[C@@H](c1c([O-])[nH]c(=O)n(c1=O)CCCC)c1cc[nH+]cc1
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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 C22H27N5O6 MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O6/c1-3-5-11-26-19(30)15(17(28)24-21(26)32)14(13-7-9-23-10-8-13)16-18(29)25-22(33)27(20(16)31)12-6-4-2/h7-10,14,28,31H,3-6,11-12H2,1-2H3,(H,24,32)(H,25,29,33)/t14-/m1/s1InChIKey
HCUMNGORDAQEAI-CQSZACIVSA-NSynonyms
(S)1butyl5((1butyl6hydroxy24dioxo1234tetrahydropyrimidin5yl)(pyridin1ium4yl)methyl)26dioxo1236tetrahydropyrimidin4olate
1butyl5((S)(1butyl6hydroxy24dioxo1234tetrahydropyrimidin5yl)(pyridinium4yl)methyl)26dioxo1236tetrahydropyrimidin4olate
CCCCn1c(=O)(nH)c(=O)c(c1O)(C@@H)(c1c((O))(nH)c(=O)n(c1=O)CCCC)C1=CC=(NH+)C=C1
CCCCn1c(=O)(nH)c(=O)c(c1O)(C@@H)(c1c((O))(nH)c(=O)n(c1=O)CCCC)c1cc(nH+)cc1
MFCD18241552
ZINC000100176463
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