Vitas-M small molecule compound
1-cyclohexyl-5-{(1-cyclohexyl-4,6-dihydroxy-2-thioxo-1,2-dihydropyrimidin-5-yl)[4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-4-hydroxy-6-oxo-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL043426
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 C34H45N5O5S2 MW 667.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H45N5O5S2/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/h15-16,19,23-24,26,40,43H,2-14,17-18,20H2,1H3,(H,35,45)(H,36,41,46)InChIKey
UJVFXIBKJKIMOA-UHFFFAOYSA-NSynonyms
1cyclohexyl5((1cyclohexyl46dihydroxy2thioxo12dihydropyrimidin5yl)(4methoxy3(piperidinium1ylmethyl)phenyl)methyl)4hydroxy6oxo16dihydropyrimidine2thiolate
COc1ccc(cc1C(NH+)1CCCCC1)C(c1c(O)nc(n(c1=O)C1CCCCC1)(S))c1c(O)nc(=S)n(c1O)C1CCCCC1
MFCD18248210
ZINC000150447624
ZINC000150447629
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