Vitas-M small molecule compound
5-{(4,6-dihydroxy-1-phenyl-2-thioxo-1,2-dihydropyrimidin-5-yl)[4-methoxy-3-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-4-hydroxy-6-oxo-1-phenyl-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL044257
SMILES COc1ccc(cc1C[NH+]1CCCC1)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 C33H31N5O5S2 MW 641.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N5O5S2/c1-43-24-15-14-20(18-21(24)19-36-16-8-9-17-36)25(26-28(39)34-32(44)37(30(26)41)22-10-4-2-5-11-22)27-29(40)35-33(45)38(31(27)42)23-12-6-3-7-13-23/h2-7,10-15,18,25,39,42H,8-9,16-17,19H2,1H3,(H,34,44)(H,35,40,45)InChIKey
BQQOBYMDYZDALW-UHFFFAOYSA-NSynonyms
5((46dihydroxy1phenyl2thioxo12dihydropyrimidin5yl)(4methoxy3(pyrrolidinium1ylmethyl)phenyl)methyl)4hydroxy6oxo1phenyl16dihydropyrimidine2thiolate
COc1ccc(cc1C(NH+)1CCCC1)C(c1c(O)nc(n(c1=O)c1ccccc1)(S))c1c(O)nc(=S)n(c1O)c1ccccc1
MFCD18248380
ZINC000150448333
ZINC000150448343
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