Vitas-M small molecule compound

6-hydroxy-5-{[4-hydroxy-1-(3-methoxyphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl][4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl}-1-(3-methoxyphenyl)-4-oxo-1,4-dihydropyrimidine-2-thiolate

Catalog ID
STK561800
SMILES COc1cccc(c1)n1c([S-])nc(=O)c(c1O)C(c1c(O)nc(n(c1=O)c1cccc(c1)OC)S)c1ccc(c(c1)C[NH+]1CCOCC1)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 C35H35N5O8S2 MW 717.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N5O8S2/c1-45-24-8-4-6-22(17-24)39-32(43)28(30(41)36-34(39)49)27(20-10-11-26(47-3)21(16-20)19-38-12-14-48-15-13-38)29-31(42)37-35(50)40(33(29)44)23-7-5-9-25(18-23)46-2/h4-11,16-18,27,41,44H,12-15,19H2,1-3H3,(H,36,49)(H,37,42,50)
InChIKey
LKLLSCQONSLJLQ-UHFFFAOYSA-N
Synonyms

6hydroxy5((4hydroxy1(3methoxyphenyl)6oxo2sulfanyl16dihydropyrimidin5yl)(4methoxy3(morpholin4ium4ylmethyl)phenyl)methyl)1(3methoxyphenyl)4oxo14dihydropyrimidine2thiolat
COc1cccc(c1)n1c((S))nc(=O)c(c1O)C(c1c(O)nc(n(c1=O)c1cccc(c1)OC)S)c1ccc(c(c1)C(NH+)1CCOCC1)OC
MFCD18243894
ZINC000150450559
ZINC000150450565

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Available files

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