Vitas-M small molecule compound
1-butyl-5-{(1-butyl-4-hydroxy-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl)[4-methoxy-3-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-6-hydroxy-4-oxo-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STK565765
SMILES CCCCn1c([S-])nc(=O)c(c1O)C(c1c(O)nc(n(c1=O)CCCC)S)c1ccc(c(c1)C[NH+]1CCCC1)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 C29H39N5O5S2 MW 601.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N5O5S2/c1-4-6-14-33-26(37)22(24(35)30-28(33)40)21(23-25(36)31-29(41)34(27(23)38)15-7-5-2)18-10-11-20(39-3)19(16-18)17-32-12-8-9-13-32/h10-11,16,21,35,38H,4-9,12-15,17H2,1-3H3,(H,30,40)(H,31,36,41)InChIKey
UBXUBJDRYVJHKX-UHFFFAOYSA-NSynonyms
1butyl5((1butyl4hydroxy6oxo2sulfanyl16dihydropyrimidin5yl)(4methoxy3(pyrrolidinium1ylmethyl)phenyl)methyl)6hydroxy4oxo14dihydropyrimidine2thiolate
CCCCn1c((S))nc(=O)c(c1O)C(c1c(O)nc(n(c1=O)CCCC)S)c1ccc(c(c1)C(NH+)1CCCC1)OC
MFCD18244867
ZINC000102537287
ZINC000102537291
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