Vitas-M small molecule compound

methyl 3-[4-(octyloxy)phenyl]-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate

Catalog ID
STL541716
SMILES CCCCCCCCOc1ccc(cc1)C(c1c(O)c(O)c(c2c1oc(cc2=O)c1ccccc1)O)CC(=O)OC

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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 C33H36O8 MW 560.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36O8/c1-3-4-5-6-7-11-18-40-23-16-14-21(15-17-23)24(19-27(35)39-2)28-30(36)32(38)31(37)29-25(34)20-26(41-33(28)29)22-12-9-8-10-13-22/h8-10,12-17,20,24,36-38H,3-7,11,18-19H2,1-2H3
InChIKey
UKCODXSOGCMAQW-UHFFFAOYSA-N
Synonyms
1574292-30-0
1574292300
75492160
InChI=1SC33H36O8c13456711184023161421(151723)24(1927(35)392)2830(36)32(38)31(37)2925(34)2026(4133(28)29)221298101322h810121720243638H37111819H212H3
methyl3(4(octyloxy)phenyl)3(567trihydroxy4oxo2phenyl4Hchromen8yl)propanoate
methyl3(4octoxyphenyl)3(567trihydroxy4oxo2phenylchromen8yl)propanoate
MFCD28052565
ZINC000108450397
ZINC000108450399

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Available files

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