Vitas-M small molecule compound
1-cyclohexyl-5-{(1-cyclohexyl-4,6-dihydroxy-2-thioxo-1,2-dihydropyrimidin-5-yl)[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl}-4-hydroxy-6-oxo-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL046166
SMILES COc1ccc(cc1C[NH+]1CCOCC1)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 C33H43N5O6S2 MW 669.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43N5O6S2/c1-43-24-13-12-20(18-21(24)19-36-14-16-44-17-15-36)25(26-28(39)34-32(45)37(30(26)41)22-8-4-2-5-9-22)27-29(40)35-33(46)38(31(27)42)23-10-6-3-7-11-23/h12-13,18,22-23,25,39,42H,2-11,14-17,19H2,1H3,(H,34,45)(H,35,40,46)InChIKey
ZUKHRLWGZLRFBE-UHFFFAOYSA-NSynonyms
1cyclohexyl5((1cyclohexyl46dihydroxy2thioxo12dihydropyrimidin5yl)(4methoxy3(morpholin4ium4ylmethyl)phenyl)methyl)4hydroxy6oxo16dihydropyrimidine2thiolate
MFCD18248794
ZINC000150451245
ZINC000150451251
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