Vitas-M small molecule compound
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(4-oxo-4H-chromen-3-yl)propanamide
Catalog ID
STL549409
SMILES O=C(CC(c1coc2c(c1=O)cccc2)c1cc2OCOc2cc1O)NCCc1ccc(c(c1)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 C27H23NO8 MW 489.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO8/c29-20-6-5-15(9-22(20)31)7-8-28-26(32)11-17(18-10-24-25(12-21(18)30)36-14-35-24)19-13-34-23-4-2-1-3-16(23)27(19)33/h1-6,9-10,12-13,17,29-31H,7-8,11,14H2,(H,28,32)InChIKey
RKHSQKUEKXVKFF-UHFFFAOYSA-NSynonyms
~(N)(2(34dihydroxyphenyl)ethyl)3(6hydroxy13benzodioxol5yl)3(4oxochromen3yl)propanamide
129894717
InChI=1SC27H23NO8c29206515(922(20)31)782826(32)1117(18102425(1221(18)30)36143524)19133423421316(23)27(19)33h169101213172931H781114H2(H2832)
MFCD31756972
N(2(34dihydroxyphenyl)ethyl)3(6hydroxy13benzodioxol5yl)3(4oxo4Hchromen3yl)propanamide
N(34dihydroxyphenethyl)3(6hydroxybenzo(d)(13)dioxol5yl)3(4oxo4Hchromen3yl)propanamide
ZINC000524729394
ZINC000524729395
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