Vitas-M small molecule compound
1-(4-chlorophenyl)-5-{[1-(4-chlorophenyl)-2,4-dihydroxy-6-oxo-1,6-dihydropyrimidin-5-yl][4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL037767
SMILES COc1ccc(cc1C[NH+]1CCCCC1)C(c1c([O-])[nH]c(=O)n(c1=O)c1ccc(cc1)Cl)c1c(O)nc(n(c1=O)c1ccc(cc1)Cl)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 C34H31Cl2N5O7 MW 692.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31Cl2N5O7/c1-48-25-14-5-19(17-20(25)18-39-15-3-2-4-16-39)26(27-29(42)37-33(46)40(31(27)44)23-10-6-21(35)7-11-23)28-30(43)38-34(47)41(32(28)45)24-12-8-22(36)9-13-24/h5-14,17,26,42-43H,2-4,15-16,18H2,1H3,(H,37,46)(H,38,47)InChIKey
KTLARTXYUSBLTL-UHFFFAOYSA-NSynonyms
1(4chlorophenyl)5((1(4chlorophenyl)24dihydroxy6oxo16dihydropyrimidin5yl)(4methoxy3(piperidinium1ylmethyl)phenyl)methyl)26dioxo1236tetrahydropyrimidin4olate
COc1ccc(cc1C(NH+)1CCCCC1)C(c1c((O))(nH)c(=O)n(c1=O)c1ccc(cc1)Cl)c1c(O)nc(n(c1=O)c1ccc(cc1)Cl)O
MFCD18247484
ZINC000150437679
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