Vitas-M small molecule compound
5-[(4,6-dihydroxy-1-methyl-2-thioxo-1,2-dihydropyrimidin-5-yl)(4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl]-4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL046877
SMILES COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)nc(n(c1=O)C)[S-])c1c(O)nc(=S)n(c1O)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 C29H32N6O5S2 MW 608.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N6O5S2/c1-33-26(38)22(24(36)31-28(33)41)21(23-25(37)32-29(42)34(2)27(23)39)16-9-10-20(40-3)18(13-16)15-35-12-5-4-8-19(35)17-7-6-11-30-14-17/h6-7,9-11,13-14,19,21,36,39H,4-5,8,12,15H2,1-3H3,(H,31,41)(H,32,37,42)InChIKey
IMVLJCOTTWESCM-UHFFFAOYSA-NSynonyms
5((46dihydroxy1methyl2thioxo12dihydropyrimidin5yl)(4methoxy3((2(pyridin3yl)piperidinium1yl)methyl)phenyl)methyl)4hydroxy1methyl6oxo16dihydropyrimidine2thiolate
COc1ccc(cc1C(NH+)1CCCCC1c1cccnc1)C(c1c(O)nc(n(c1=O)C)(S))c1c(O)nc(=S)n(c1O)C
MFCD18248943
ZINC000102881792
ZINC000229850435
Check stock
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