Vitas-M small molecule compound
1-butyl-5-{(1-butyl-4-hydroxy-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl)[4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-6-hydroxy-4-oxo-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL038119
SMILES CCCCn1c([S-])nc(=O)c(c1O)C(c1c(O)nc(n(c1=O)CCCC)S)c1ccc(c(c1)C[NH+]1CCCCC1)OC
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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 C30H41N5O5S2 MW 615.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H41N5O5S2/c1-4-6-15-34-27(38)23(25(36)31-29(34)41)22(24-26(37)32-30(42)35(28(24)39)16-7-5-2)19-11-12-21(40-3)20(17-19)18-33-13-9-8-10-14-33/h11-12,17,22,36,39H,4-10,13-16,18H2,1-3H3,(H,31,41)(H,32,37,42)InChIKey
NXFRCAJYYFRYSL-UHFFFAOYSA-NSynonyms
1butyl5((1butyl4hydroxy6oxo2sulfanyl16dihydropyrimidin5yl)(4methoxy3(piperidinium1ylmethyl)phenyl)methyl)6hydroxy4oxo14dihydropyrimidine2thiolate
CCCCn1c((S))nc(=O)c(c1O)C(c1c(O)nc(n(c1=O)CCCC)S)c1ccc(c(c1)C(NH+)1CCCCC1)OC
MFCD18247563
ZINC000102860333
ZINC000102860336
Check stock
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Check stock on Vitas-MAvailable files
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