Vitas-M small molecule compound

1-(4-fluorophenyl)-5-{[1-(4-fluorophenyl)-2,4-dihydroxy-6-oxo-1,6-dihydropyrimidin-5-yl][4-methoxy-3-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-2-hydroxy-6-oxo-1,6-dihydropyrimidin-4-olate

Catalog ID
STL044034
SMILES COc1ccc(cc1C[NH+]1CCCC1)C(c1c(O)nc(n(c1=O)c1ccc(cc1)F)O)c1c([O-])nc(n(c1=O)c1ccc(cc1)F)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 C33H29F2N5O7 MW 645.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29F2N5O7/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
KHBKAXKETRLARA-UHFFFAOYSA-N
Synonyms

1(4fluorophenyl)5((1(4fluorophenyl)24dihydroxy6oxo16dihydropyrimidin5yl)(4methoxy3(pyrrolidinium1ylmethyl)phenyl)methyl)2hydroxy6oxo16dihydropyrimidin4olate
COc1ccc(cc1C(NH+)1CCCC1)C(c1c(O)nc(n(c1=O)c1ccc(cc1)F)O)c1c((O))nc(n(c1=O)c1ccc(cc1)F)O
MFCD18248337
ZINC000150442447

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Available files

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