Vitas-M small molecule compound
1-(4-fluorobenzyl)-5-{[1-(4-fluorobenzyl)-4-hydroxy-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl][4-methoxy-3-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-4-hydroxy-6-oxo-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STK560946
SMILES COc1ccc(cc1C[NH+]1CCCC1)C(c1c(O)nc(n(c1=O)Cc1ccc(cc1)F)S)c1c(O)nc(n(c1=O)Cc1ccc(cc1)F)[S-]
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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 C35H33F2N5O5S2 MW 705.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H33F2N5O5S2/c1-47-26-13-8-22(16-23(26)19-40-14-2-3-15-40)27(28-30(43)38-34(48)41(32(28)45)17-20-4-9-24(36)10-5-20)29-31(44)39-35(49)42(33(29)46)18-21-6-11-25(37)12-7-21/h4-13,16,27,43-44H,2-3,14-15,17-19H2,1H3,(H,38,48)(H,39,49)InChIKey
ULLZLBIQULJLJF-UHFFFAOYSA-NSynonyms
1(4fluorobenzyl)5((1(4fluorobenzyl)4hydroxy6oxo2sulfanyl16dihydropyrimidin5yl)(4methoxy3(pyrrolidinium1ylmethyl)phenyl)methyl)4hydroxy6oxo16dihydropyrimidine2thiolate
COc1ccc(cc1C(NH+)1CCCC1)C(c1c(O)nc(n(c1=O)Cc1ccc(cc1)F)S)c1c(O)nc(n(c1=O)Cc1ccc(cc1)F)(S)
MFCD18243670
ZINC000150449255
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