Vitas-M small molecule compound
2,2'-{(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[(3-methoxy-3-oxopropane-1,1-diyl)(2-methoxybenzene-4,1-diyl)oxy]}diacetic acid
Catalog ID
STL544403
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(c(c1)OC)OCC(=O)O)CC(=O)OC)c1ccc(c(c1)OC)OCC(=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 C32H32O16 MW 672.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32O16/c1-43-21-9-15(5-7-19(21)47-13-23(33)34)17(11-25(37)45-3)27-29(39)31(41)28(32(42)30(27)40)18(12-26(38)46-4)16-6-8-20(22(10-16)44-2)48-14-24(35)36/h5-10,17-18,39,42H,11-14H2,1-4H3,(H,33,34)(H,35,36)InChIKey
RTWIHRGSZOZBRC-UHFFFAOYSA-NSynonyms
1676078-95-7102564698
1676078957
2(4(1(4(1(4(carboxymethoxy)3methoxyphenyl)3methoxy3oxopropyl)25dihydroxy36dioxocyclohexa14dien1yl)3methoxy3oxopropyl)2methoxyphenoxy)aceticacid
22((((25DIHYDROXY36DIOXOCYCLOHEXA14DIENE14DIYL)BIS(3METHOXY3OXOPROPANE11DIYL))BIS(2METHOXY41PHENYLENE))BIS(OXY))DIACETICACID
22((25dihydroxy36dioxocyclohexa14diene14diyl)bis((3methoxy3oxopropane11diyl)(2methoxybenzene41diyl)oxy))diaceticacid
InChI=1SC32H32O16c14321915(5719(21)471323(33)34)17(1125(37)453)2729(39)31(41)28(32(42)30(27)40)18(1226(38)464)166820(22(1016)442)481424(35)36h51017183942H1114H214H3(H3334)(H3536)
MFCD28985601
ZINC000218004891
ZINC000218005061
Check stock
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