Vitas-M small molecule compound
1-(4-fluorophenyl)-5-{[1-(4-fluorophenyl)-4,6-dihydroxy-2-thioxo-1,2-dihydropyrimidin-5-yl](4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl}-4-hydroxy-6-oxo-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL149425
SMILES COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)nc(=S)n(c1O)c1ccc(cc1)F)c1c(O)nc(n(c1=O)c1ccc(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 C39H34F2N6O5S2 MW 768.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H34F2N6O5S2/c1-52-30-16-7-22(19-24(30)21-45-18-3-2-6-29(45)23-5-4-17-42-20-23)31(32-34(48)43-38(53)46(36(32)50)27-12-8-25(40)9-13-27)33-35(49)44-39(54)47(37(33)51)28-14-10-26(41)11-15-28/h4-5,7-17,19-20,29,31,48,51H,2-3,6,18,21H2,1H3,(H,43,53)InChIKey
GGPFCCSWAQSKDR-UHFFFAOYSA-NSynonyms
1(4fluorophenyl)5((1(4fluorophenyl)46dihydroxy2thioxo12dihydropyrimidin5yl)(4methoxy3((2(pyridin3yl)piperidinium1yl)methyl)phenyl)methyl)4hydroxy6oxo16dihydropyrimidine
COc1ccc(cc1C(NH+)1CCCCC1c1cccnc1)C(c1c(O)nc(=S)n(c1O)c1ccc(cc1)F)c1c(O)nc(n(c1=O)c1ccc(cc1)F)(S)
MFCD20755604
ZINC000150392227
ZINC000245245709
Check stock
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