Vitas-M small molecule compound

methyl 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate

Catalog ID
STL544272
SMILES COC(=O)CC(c1c(O)cc(c2c1oc(cc2=O)c1ccccc1)O)c1ccc(c(c1)OC)OCC(=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 C28H25NO9 MW 519.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO9/c1-35-23-10-16(8-9-21(23)37-14-24(29)33)17(11-25(34)36-2)26-18(30)12-19(31)27-20(32)13-22(38-28(26)27)15-6-4-3-5-7-15/h3-10,12-13,17,30-31H,11,14H2,1-2H3,(H2,29,33)
InChIKey
JSRNTOKNNRFWSP-UHFFFAOYSA-N
Synonyms
1574473-59-8
1574473598
71826181
InChI=1SC28H25NO9c135231016(8921(23)371424(29)33)17(1125(34)362)2618(30)1219(31)2720(32)1322(3828(26)27)156435715h3101213173031H1114H212H3(H22933)
methyl3(4(2amino2oxoethoxy)3methoxyphenyl)3(57dihydroxy4oxo2phenyl4Hchromen8yl)propanoate
methyl3(4(2amino2oxoethoxy)3methoxyphenyl)3(57dihydroxy4oxo2phenylchromen8yl)propanoate
MFCD28051560
ZINC000096115532
ZINC000096115533

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Available files

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