Vitas-M small molecule compound
5-[{3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}(6-hydroxy-3-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-3-methyl-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STK566913
SMILES COc1ccc(cc1C[NH+]1CCCC(C1)(C)C)C(c1c(O)[nH]c(=S)n(c1=O)C)c1c(=O)[nH]c(=S)n(c1[O-])C
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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 C26H33N5O5S2 MW 559.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N5O5S2/c1-26(2)9-6-10-31(13-26)12-15-11-14(7-8-16(15)36-5)17(18-20(32)27-24(37)29(3)22(18)34)19-21(33)28-25(38)30(4)23(19)35/h7-8,11,17,32,35H,6,9-10,12-13H2,1-5H3,(H,27,37)(H,28,33,38)InChIKey
VGYCQEXMBGURKJ-UHFFFAOYSA-NSynonyms
5((3((33dimethylpiperidin1ium1yl)methyl)4methoxyphenyl)(6hydroxy3methyl4oxo2thioxo1234tetrahydropyrimidin5yl)methyl)3methyl6oxo2thioxo1236tetrahydropyrimidin4olate
5((3((33dimethylpiperidinium1yl)methyl)4methoxyphenyl)(6hydroxy3methyl4oxo2thioxo1234tetrahydropyrimidin5yl)methyl)3methyl6oxo2thioxo1236tetrahydropyrimidin4olate
COc1ccc(cc1C(NH+)1CCCC(C1)(C)C)C(c1c(O)(nH)c(=S)n(c1=O)C)c1c(=O)(nH)c(=S)n(c1(O))C
MFCD18245118
ZINC000102544620
ZINC000102544625
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