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-[3-(hydroxymethyl)-4-methoxyphenyl]propanoate

Catalog ID
STL549804
SMILES COC(=O)CC(c1c(O)c(cc(c1O)C1OCc2c1c(O)c(nc2)C)C(=O)C)c1ccc(c(c1)CO)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 C28H29NO9 MW 523.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO9/c1-13-25(33)23-17(10-29-13)12-38-28(23)20-8-18(14(2)31)26(34)24(27(20)35)19(9-22(32)37-4)15-5-6-21(36-3)16(7-15)11-30/h5-8,10,19,28,30,33-35H,9,11-12H2,1-4H3
InChIKey
IDEWDAYPFNITEN-UHFFFAOYSA-N
Synonyms

129895308
InChI=1SC28H29NO9c11325(33)2317(102913)123828(23)20818(14(2)31)26(34)24(27(20)35)19(922(32)374)155621(363)16(715)1130h58101928303335H91112H214H3
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(3(hydroxymethyl)4methoxyphenyl)propanoate
MFCD31757215
ZINC000524730401
ZINC000524730404

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.