Vitas-M small molecule compound

methyl 5-(3-amino-1-{3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl}-3-oxopropyl)-4,6-dihydroxypyridine-3-carboxylate

Catalog ID
STL546499
SMILES COc1ccc(cc1OCCc1ccc2c(c1)CCO2)C(c1c(O)ncc(c1O)C(=O)OC)CC(=O)N

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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 C27H28N2O8 MW 508.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O8/c1-34-21-6-4-16(12-22(21)37-9-7-15-3-5-20-17(11-15)8-10-36-20)18(13-23(28)30)24-25(31)19(27(33)35-2)14-29-26(24)32/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H2,28,30)(H2,29,31,32)
InChIKey
ITZKQFMDTQTPBH-UHFFFAOYSA-N
Synonyms

110206985
InChI=1SC27H28N2O8c134216416(1222(21)379715352017(1115)8103620)18(1323(28)30)2425(31)19(27(33)352)142926(24)32h3611121418H71013H212H3(H22830)(H2293132)
methyl5(3amino1(3(2(23dihydro1benzofuran5yl)ethoxy)4methoxyphenyl)3oxopropyl)46dihydroxypyridine3carboxylate
methyl5(3amino1(3(2(23dihydro1benzofuran5yl)ethoxy)4methoxyphenyl)3oxopropyl)4hydroxy6oxo1~(H)pyridine3carboxylate
METHYL5(3AMINO1(3(2(23DIHYDROBENZOFURAN5YL)ETHOXY)4METHOXYPHENYL)3OXOPROPYL)4HYDROXY6OXO16DIHYDROPYRIDINE3CARBOXYLATE
MFCD31756416
ZINC000253623717
ZINC000253623718

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Available files

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