Vitas-M small molecule compound

methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(4-methoxynaphthalen-1-yl)propanoate

Catalog ID
STL541769
SMILES COC(=O)CC(c1ccc(c2c1cccc2)OC)c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)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 C30H24O10 MW 544.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24O10/c1-38-23-10-8-16(15-5-3-4-6-17(15)23)18(12-24(35)39-2)25-21(33)13-22(34)26-27(36)28(37)29(40-30(25)26)14-7-9-19(31)20(32)11-14/h3-11,13,18,31-34,37H,12H2,1-2H3
InChIKey
OECTXSIYELPMRZ-UHFFFAOYSA-N
Synonyms
1574470-74-8
1574470748
71826842
InChI=1SC30H24O10c1382310816(15534617(15)23)18(1224(35)392)2521(33)1322(34)2627(36)28(37)29(4030(25)26)147919(31)20(32)1114h3111318313437H12H212H3
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxo4Hchromen8yl)3(4methoxynaphthalen1yl)propanoate
methyl3(2(34dihydroxyphenyl)357trihydroxy4oxochromen8yl)3(4methoxynaphthalen1yl)propanoate
MFCD28051043
ZINC000097971939
ZINC000097971940

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Available files

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