Vitas-M small molecule compound
5-[{2,6-dihydroxy-4-oxo-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-5-yl}(pyridinium-4-yl)methyl]-2,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL148077
SMILES Oc1nc(=O)c(c(n1c1cccc(c1)C(F)(F)F)O)C(c1c([O-])[nH]c(=O)n(c1=O)c1cccc(c1)C(F)(F)F)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 C28H17F6N5O6 MW 633.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H17F6N5O6/c29-27(30,31)14-3-1-5-16(11-14)38-23(42)19(21(40)36-25(38)44)18(13-7-9-35-10-8-13)20-22(41)37-26(45)39(24(20)43)17-6-2-4-15(12-17)28(32,33)34/h1-12,18,40,43H,(H,36,44)(H,37,41,45)InChIKey
DXXSADNRAUVCEH-UHFFFAOYSA-NSynonyms
5((26dihydroxy4oxo1(3(trifluoromethyl)phenyl)14dihydropyrimidin5yl)(pyridinium4yl)methyl)26dioxo1(3(trifluoromethyl)phenyl)1236tetrahydropyrimidin4olate
MFCD07755160
Oc1nc(=O)c(c(n1c1cccc(c1)C(F)(F)F)O)C(c1c((O))(nH)c(=O)n(c1=O)c1cccc(c1)C(F)(F)F)c1cc(nH+)cc1
ZINC000150344548
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