Vitas-M small molecule compound
6-hydroxy-5-{(4-hydroxy-1-methyl-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl)[4-methoxy-3-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-1-methyl-4-oxo-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STK562830
SMILES COc1ccc(cc1C[NH+]1CCCC1)C(c1c(O)nc(n(c1=O)C)S)c1c(=O)nc(n(c1O)C)[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 C23H27N5O5S2 MW 517.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O5S2/c1-26-20(31)16(18(29)24-22(26)34)15(17-19(30)25-23(35)27(2)21(17)32)12-6-7-14(33-3)13(10-12)11-28-8-4-5-9-28/h6-7,10,15,29,32H,4-5,8-9,11H2,1-3H3,(H,24,34)(H,25,30,35)InChIKey
QMTKZTNPXSKTJA-UHFFFAOYSA-NSynonyms
6hydroxy5((4hydroxy1methyl6oxo2sulfanyl16dihydropyrimidin5yl)(4methoxy3(pyrrolidinium1ylmethyl)phenyl)methyl)1methyl4oxo14dihydropyrimidine2thiolate
COc1ccc(cc1C(NH+)1CCCC1)C(c1c(O)nc(n(c1=O)C)S)c1c(=O)nc(n(c1O)C)(S)
MFCD18244139
ZINC000009007772
ZINC000100733851
Check stock
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Check stock on Vitas-MAvailable files
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