Vitas-M small molecule compound

dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis{3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]propanoate}

Catalog ID
STL542745
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(c(c1)OCC(=O)N)OC)CC(=O)OC)c1ccc(c(c1)OCC(=O)N)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 C32H34N2O14 MW 670.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O14/c1-43-19-7-5-15(9-21(19)47-13-23(33)35)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(44-2)22(10-16)48-14-24(34)36/h5-10,17-18,39,42H,11-14H2,1-4H3,(H2,33,35)(H2,34,36)
InChIKey
HIRPRSDQVKUHCS-UHFFFAOYSA-N
Synonyms
1676073-52-1
102565068
1676073521
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(3(2amino2oxoethoxy)4methoxyphenyl)propanoate)
InChI=1SC32H34N2O14c143197515(921(19)471323(33)35)17(1125(37)453)2729(39)31(41)28(32(42)30(27)40)18(1226(38)464)166820(442)22(1016)481424(34)36h51017183942H1114H214H3(H23335)(H23436)
methyl3(3(2amino2oxoethoxy)4methoxyphenyl)3(4(1(3(2amino2oxoethoxy)4methoxyphenyl)3methoxy3oxopropyl)25dihydroxy36dioxocyclohexa14dien1yl)propanoate
MFCD28985947
ZINC000218098378
ZINC000218098517

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Available files

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