Vitas-M small molecule compound
1-[4-(ethoxycarbonyl)phenyl]-5-[(S)-{1-[4-(ethoxycarbonyl)phenyl]-4,6-dihydroxy-2-oxo-1,2-dihydropyrimidin-5-yl}(pyridinium-4-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL043725
SMILES CCOC(=O)c1ccc(cc1)n1c(=O)nc(c(c1O)[C@@H](c1c([O-])[nH]c(=O)n(c1=O)c1ccc(cc1)C(=O)OCC)c1cc[nH+]cc1)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 C32H27N5O10 MW 641.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N5O10/c1-3-46-29(42)18-5-9-20(10-6-18)36-27(40)23(25(38)34-31(36)44)22(17-13-15-33-16-14-17)24-26(39)35-32(45)37(28(24)41)21-11-7-19(8-12-21)30(43)47-4-2/h5-16,22,38,41H,3-4H2,1-2H3,(H,34,44)(H,35,39,45)/t22-/m1/s1InChIKey
YSICIHGNTRUDKA-JOCHJYFZSA-NSynonyms
1(4(ethoxycarbonyl)phenyl)5((S)(1(4(ethoxycarbonyl)phenyl)46dihydroxy2oxo12dihydropyrimidin5yl)(pyridinium4yl)methyl)26dioxo1236tetrahydropyrimidin4olate
CCOC(=O)c1ccc(cc1)n1c(=O)nc(c(c1O)(C@@H)(c1c((O))(nH)c(=O)n(c1=O)c1ccc(cc1)C(=O)OCC)c1cc(nH+)cc1)O
MFCD18192567
ZINC000150447074
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