Vitas-M small molecule compound
6-hydroxy-5-{(4-hydroxy-1-methyl-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl)[4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-1-methyl-4-oxo-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL047685
SMILES COc1ccc(cc1C[NH+]1CCCCC1)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 C24H29N5O5S2 MW 531.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O5S2/c1-27-21(32)17(19(30)25-23(27)35)16(18-20(31)26-24(36)28(2)22(18)33)13-7-8-15(34-3)14(11-13)12-29-9-5-4-6-10-29/h7-8,11,16,30,33H,4-6,9-10,12H2,1-3H3,(H,25,35)(H,26,31,36)InChIKey
YHLQQEZJIFWVKF-UHFFFAOYSA-NSynonyms
6hydroxy5((4hydroxy1methyl6oxo2sulfanyl16dihydropyrimidin5yl)(4methoxy3(piperidinium1ylmethyl)phenyl)methyl)1methyl4oxo14dihydropyrimidine2thiolate
COc1ccc(cc1C(NH+)1CCCCC1)C(c1c(O)nc(n(c1=O)C)S)c1c(=O)nc(n(c1O)C)(S)
MFCD18249114
ZINC000100730370
ZINC000100730374
Check stock
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Check stock on Vitas-MAvailable files
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