Vitas-M small molecule compound
4-chloro-3-[5-(1-{1-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxy-6-methyl-4-oxo-1,4-dihydropyridin-3-yl}-3-methoxy-3-oxopropyl)furan-2-yl]benzoic acid
Catalog ID
STL548136
SMILES COC(=O)CC(c1c(=O)cc(n(c1O)CCc1ccc(c(c1)O)O)C)c1ccc(o1)c1cc(ccc1Cl)C(=O)O
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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 C29H26ClNO9 MW 567.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClNO9/c1-15-11-23(34)27(28(36)31(15)10-9-16-3-6-21(32)22(33)12-16)19(14-26(35)39-2)25-8-7-24(40-25)18-13-17(29(37)38)4-5-20(18)30/h3-8,11-13,19,32-33,36H,9-10,14H2,1-2H3,(H,37,38)InChIKey
QQMPBABZSOJSRI-UHFFFAOYSA-NSynonyms
4chloro3(5(1(1(2(34dihydroxyphenyl)ethyl)2hydroxy6methyl4oxo14dihydropyridin3yl)3methoxy3oxopropyl)furan2yl)benzoicacid
InChI=1SC29H26ClNO9c1151123(34)27(28(36)31(15)109163621(32)22(33)1216)19(1426(35)392)258724(4025)181317(29(37)38)4520(18)30h38111319323336H91014H212H3(H3738)
MFCD31756697
ZINC000409414188
ZINC000409414189
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