Vitas-M small molecule compound

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

Catalog ID
STL545463
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(cc1)OCC(=O)N)CC(=O)OC)c1ccc(cc1)OCC(=O)N

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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 C30H30N2O12 MW 610.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O12/c1-41-23(35)11-19(15-3-7-17(8-4-15)43-13-21(31)33)25-27(37)29(39)26(30(40)28(25)38)20(12-24(36)42-2)16-5-9-18(10-6-16)44-14-22(32)34/h3-10,19-20,37,40H,11-14H2,1-2H3,(H2,31,33)(H2,32,34)
InChIKey
SVWABXRPLGOPOQ-UHFFFAOYSA-N
Synonyms
1676078-42-4
102565174
1676078424
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(4(2amino2oxoethoxy)phenyl)propanoate)
InChI=1SC30H30N2O12c14123(35)1119(153717(8415)431321(31)33)2527(37)29(39)26(30(40)28(25)38)20(1224(36)422)165918(10616)441422(32)34h31019203740H1114H212H3(H23133)(H23234)
methyl3(4(2amino2oxoethoxy)phenyl)3(4(1(4(2amino2oxoethoxy)phenyl)3methoxy3oxopropyl)25dihydroxy36dioxocyclohexa14dien1yl)propanoate
MFCD28986050
ZINC000218124627
ZINC000218124810

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Available files

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