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-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL148306
SMILES COc1ccc(cc1C[NH+]1CCCC1)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 C33H29Cl2N5O7 MW 678.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29Cl2N5O7/c1-47-24-13-4-18(16-19(24)17-38-14-2-3-15-38)25(26-28(41)36-32(45)39(30(26)43)22-9-5-20(34)6-10-22)27-29(42)37-33(46)40(31(27)44)23-11-7-21(35)8-12-23/h4-13,16,25,41-42H,2-3,14-15,17H2,1H3,(H,36,45)(H,37,46)InChIKey
HGCRBIDPUYROLK-UHFFFAOYSA-NSynonyms
1(4chlorophenyl)5((1(4chlorophenyl)24dihydroxy6oxo16dihydropyrimidin5yl)(4methoxy3(pyrrolidinium1ylmethyl)phenyl)methyl)26dioxo1236tetrahydropyrimidin4olate
COc1ccc(cc1C(NH+)1CCCC1)C(c1c((O))(nH)c(=O)n(c1=O)c1ccc(cc1)Cl)c1c(O)nc(n(c1=O)c1ccc(cc1)Cl)O
MFCD20755369
ZINC000150390642
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