Vitas-M small molecule compound

dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(3,4,5-trimethoxyphenyl)propanoate]

Catalog ID
STL544749
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1cc(OC)c(c(c1)OC)OC)CC(=O)OC)c1cc(OC)c(c(c1)OC)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 C32H36O14 MW 644.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36O14/c1-39-19-9-15(10-20(40-2)31(19)45-7)17(13-23(33)43-5)25-27(35)29(37)26(30(38)28(25)36)18(14-24(34)44-6)16-11-21(41-3)32(46-8)22(12-16)42-4/h9-12,17-18,35,38H,13-14H2,1-8H3
InChIKey
LSMRJZDKSFFUAB-UHFFFAOYSA-N
Synonyms
1676078-60-6
102565127
1676078606
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(345trimethoxyphenyl)propanoate)
InChI=1SC32H36O14c13919915(1020(402)31(19)457)17(1323(33)435)2527(35)29(37)26(30(38)28(25)36)18(1424(34)446)161121(413)32(468)22(1216)424h91217183538H1314H218H3
methyl3(25dihydroxy4(3methoxy3oxo1(345trimethoxyphenyl)propyl)36dioxocyclohexa14dien1yl)3(345trimethoxyphenyl)propanoate
MFCD28986005
ZINC000218113228
ZINC000218113406

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Available files

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