Vitas-M small molecule compound
5-[{3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}(4-hydroxy-6-oxo-1-phenyl-2-sulfanyl-1,6-dihydropyrimidin-5-yl)methyl]-6-hydroxy-4-oxo-1-phenyl-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STK561096
SMILES COc1ccc(cc1C[NH+]1CCCC(C1)(C)C)C(c1c(O)nc(n(c1=O)c1ccccc1)S)c1c(=O)nc(n(c1O)c1ccccc1)[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 C36H37N5O5S2 MW 683.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37N5O5S2/c1-36(2)17-10-18-39(21-36)20-23-19-22(15-16-26(23)46-3)27(28-30(42)37-34(47)40(32(28)44)24-11-6-4-7-12-24)29-31(43)38-35(48)41(33(29)45)25-13-8-5-9-14-25/h4-9,11-16,19,27,42,45H,10,17-18,20-21H2,1-3H3,(H,37,47)(H,38,43,48)InChIKey
NSRJGOZXOIHXPE-UHFFFAOYSA-NSynonyms
5((3((33dimethylpiperidinium1yl)methyl)4methoxyphenyl)(4hydroxy6oxo1phenyl2sulfanyl16dihydropyrimidin5yl)methyl)6hydroxy4oxo1phenyl14dihydropyrimidine2thiolate
COc1ccc(cc1C(NH+)1CCCC(C1)(C)C)C(c1c(O)nc(n(c1=O)c1ccccc1)S)c1c(=O)nc(n(c1O)c1ccccc1)(S)
MFCD18243709
ZINC000150449269
ZINC000150449272
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