Vitas-M small molecule compound

methyl 3-[3-acetyl-2,6-dihydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)phenyl]-3-[4-(propan-2-yloxy)phenyl]propanoate

Catalog ID
STL551505
SMILES COC(=O)CC(c1c(O)c(cc(c1O)C1OCc2c1c(O)c(nc2)C)C(=O)C)c1ccc(cc1)OC(C)C

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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 C29H31NO8 MW 521.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO8/c1-14(2)38-19-8-6-17(7-9-19)21(11-23(32)36-5)25-27(34)20(16(4)31)10-22(28(25)35)29-24-18(13-37-29)12-30-15(3)26(24)33/h6-10,12,14,21,29,33-35H,11,13H2,1-5H3
InChIKey
HLJMUMPCBGWJML-UHFFFAOYSA-N
Synonyms

129895113
InChI=1SC29H31NO8c114(2)38198617(7919)21(1123(32)365)2527(34)20(16(4)31)1022(28(25)35)292418(133729)123015(3)26(24)33h610121421293335H1113H215H3
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(4(propan2yloxy)phenyl)propanoate
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(4isopropoxyphenyl)propanoate
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(4propan2yloxyphenyl)propanoate
MFCD31758175
ZINC000524729735
ZINC000524729738

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Available files

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