Vitas-M small molecule compound

dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate]

Catalog ID
STL543748
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1cc(OC)c2c(c1)OCCO2)CC(=O)OC)c1cc(OC)c2c(c1)OCCO2

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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 C32H32O14 MW 640.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32O14/c1-39-19-9-15(11-21-31(19)45-7-5-43-21)17(13-23(33)41-3)25-27(35)29(37)26(30(38)28(25)36)18(14-24(34)42-4)16-10-20(40-2)32-22(12-16)44-6-8-46-32/h9-12,17-18,35,38H,5-8,13-14H2,1-4H3
InChIKey
QRSOTVXJMXAADB-UHFFFAOYSA-N
Synonyms
1676078-27-5
102564767
1676078275
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(8methoxy23dihydro14benzodioxin6yl)propanoate)
DIMETHYL33(25DIHYDROXY36DIOXOCYCLOHEXA14DIENE14DIYL)BIS(3(8METHOXY23DIHYDROBENZO(B)(14)DIOXIN6YL)PROPANOATE)
InChI=1SC32H32O14c13919915(112131(19)45754321)17(1323(33)413)2527(35)29(37)26(30(38)28(25)36)18(1424(34)424)161020(402)3222(1216)44684632h91217183538H581314H214H3
methyl3(25dihydroxy4(3methoxy1(5methoxy23dihydro14benzodioxin7yl)3oxopropyl)36dioxocyclohexa14dien1yl)3(5methoxy23dihydro14benzodioxin7yl)propanoate
MFCD28985663
ZINC000218024340
ZINC000218024525

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Available files

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