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-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanoate

Catalog ID
STL551079
SMILES COC(=O)CC(c1c(O)c(cc(c1O)C1OCc2c1c(O)c(nc2)C)C(=O)C)c1ccc2c(c1)n(C)c(=O)n2C

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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 C29H29N3O8 MW 547.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O8/c1-13-25(35)23-16(11-30-13)12-40-28(23)19-9-17(14(2)33)26(36)24(27(19)37)18(10-22(34)39-5)15-6-7-20-21(8-15)32(4)29(38)31(20)3/h6-9,11,18,28,35-37H,10,12H2,1-5H3
InChIKey
IQYIGNPKWPCSTH-UHFFFAOYSA-N
Synonyms

129894926
InChI=1SC29H29N3O8c11325(35)2316(113013)124028(23)19917(14(2)33)26(36)24(27(19)37)18(1022(34)395)15672021(815)32(4)29(38)31(20)3h691118283537H1012H215H3
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(13dimethyl2oxo23dihydro1Hbenzimidazol5yl)propanoate
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(13dimethyl2oxo23dihydro1Hbenzo(d)imidazol5yl)propanoate
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(13dimethyl2oxobenzimidazol5yl)propanoate
MFCD31757937
ZINC000524729762
ZINC000524729765

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Available files

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