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-(morpholin-4-ium-4-ylmethyl)phenyl]methyl}-1-(4-methylphenyl)-4-oxo-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL046552
SMILES COc1ccc(cc1C[NH+]1CCOCC1)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 C35H35N5O6S2 MW 685.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N5O6S2/c1-20-4-9-24(10-5-20)39-32(43)28(30(41)36-34(39)47)27(22-8-13-26(45-3)23(18-22)19-38-14-16-46-17-15-38)29-31(42)37-35(48)40(33(29)44)25-11-6-21(2)7-12-25/h4-13,18,27,41,44H,14-17,19H2,1-3H3,(H,36,47)(H,37,42,48)InChIKey
DXIMEAOOMCKGNC-UHFFFAOYSA-NSynonyms
6hydroxy5((4hydroxy1(4methylphenyl)6oxo2sulfanyl16dihydropyrimidin5yl)(4methoxy3(morpholin4ium4ylmethyl)phenyl)methyl)1(4methylphenyl)4oxo14dihydropyrimidine2thiolate
COc1ccc(cc1C(NH+)1CCOCC1)C(c1c(O)nc(n(c1=O)c1ccc(cc1)C)S)c1c(=O)nc(n(c1O)c1ccc(cc1)C)(S)
MFCD18248873
ZINC000150452040
ZINC000150452048
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