Vitas-M small molecule compound
5-{(4,6-dihydroxy-1-phenyl-2-thioxo-1,2-dihydropyrimidin-5-yl)[4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-4-hydroxy-6-oxo-1-phenyl-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL149506
SMILES COc1ccc(cc1C[NH+]1CCCCC1)C(c1c(O)nc(n(c1=O)c1ccccc1)[S-])c1c(O)nc(=S)n(c1O)c1ccccc1
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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 C34H33N5O5S2 MW 655.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N5O5S2/c1-44-25-16-15-21(19-22(25)20-37-17-9-4-10-18-37)26(27-29(40)35-33(45)38(31(27)42)23-11-5-2-6-12-23)28-30(41)36-34(46)39(32(28)43)24-13-7-3-8-14-24/h2-3,5-8,11-16,19,26,40,43H,4,9-10,17-18,20H2,1H3,(H,35,45)(H,36,41,46)InChIKey
PILFEMYXZKKSMR-UHFFFAOYSA-NSynonyms
5((46dihydroxy1phenyl2thioxo12dihydropyrimidin5yl)(4methoxy3(piperidinium1ylmethyl)phenyl)methyl)4hydroxy6oxo1phenyl16dihydropyrimidine2thiolate
MFCD20755617
ZINC000150390767
ZINC000150390773
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