Vitas-M small molecule compound
6-hydroxy-5-{[4-hydroxy-1-(4-methylphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl][4-methoxy-3-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-1-(4-methylphenyl)-4-oxo-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL149672
SMILES COc1ccc(cc1C[NH+]1CCCC1)C(c1c(O)nc(n(c1=O)c1ccc(cc1)C)S)c1c(=O)nc(n(c1O)c1ccc(cc1)C)[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 C35H35N5O5S2 MW 669.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N5O5S2/c1-20-6-11-24(12-7-20)39-32(43)28(30(41)36-34(39)46)27(22-10-15-26(45-3)23(18-22)19-38-16-4-5-17-38)29-31(42)37-35(47)40(33(29)44)25-13-8-21(2)9-14-25/h6-15,18,27,41,44H,4-5,16-17,19H2,1-3H3,(H,36,46)(H,37,42,47)InChIKey
LIAKPENGWLTLDD-UHFFFAOYSA-NSynonyms
6hydroxy5((4hydroxy1(4methylphenyl)6oxo2sulfanyl16dihydropyrimidin5yl)(4methoxy3(pyrrolidinium1ylmethyl)phenyl)methyl)1(4methylphenyl)4oxo14dihydropyrimidine2thiolate
COc1ccc(cc1C(NH+)1CCCC1)C(c1c(O)nc(n(c1=O)c1ccc(cc1)C)S)c1c(=O)nc(n(c1O)c1ccc(cc1)C)(S)
MFCD20755651
ZINC000150390865
ZINC000150390868
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