Vitas-M small molecule compound
1-tert-butyl-5-[(1-tert-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
STL328652
SMILES O=c1[nH]c(=O)n(c(c1C(c1c([O-])[nH]c(=O)n(c1=O)C(C)(C)C)c1cc[nH+]cc1)O)C(C)(C)C
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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/c1-21(2,3)26-17(30)13(15(28)24-19(26)32)12(11-7-9-23-10-8-11)14-16(29)25-20(33)27(18(14)31)22(4,5)6/h7-10,12,28,31H,1-6H3,(H,24,32)(H,25,29,33)InChIKey
ZNPPHLLUOFXBDG-UHFFFAOYSA-NSynonyms
(S)1(tertbutyl)5((1(tertbutyl)6hydroxy24dioxo1234tetrahydropyrimidin5yl)(pyridin1ium4yl)methyl)26dioxo1236tetrahydropyrimidin4olate
1tertbutyl5((1tertbutyl6hydroxy24dioxo1234tetrahydropyrimidin5yl)(pyridinium4yl)methyl)26dioxo1236tetrahydropyrimidin4olate
MFCD28032063
O=c1(nH)c(=O)n(c(c1(C@@H)(c1c((O))(nH)c(=O)n(c1=O)C(C)(C)C)C1=CC=(NH+)C=C1)O)C(C)(C)C
O=c1(nH)c(=O)n(c(c1C(c1c((O))(nH)c(=O)n(c1=O)C(C)(C)C)c1cc(nH+)cc1)O)C(C)(C)C
ZINC000100075465
ZINC000101361805
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