Vitas-M small molecule compound
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(2-hydroxy-6-methoxyquinolin-3-yl)propanoate]
Catalog ID
STL545230
SMILES COC(=O)CC(c1cc2cc(OC)ccc2nc1O)C1=C(O)C(=O)C(=C(C1=O)O)C(c1cc2cc(OC)ccc2nc1O)CC(=O)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 C34H30N2O12 MW 658.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N2O12/c1-45-17-5-7-23-15(9-17)11-21(33(43)35-23)19(13-25(37)47-3)27-29(39)31(41)28(32(42)30(27)40)20(14-26(38)48-4)22-12-16-10-18(46-2)6-8-24(16)36-34(22)44/h5-12,19-20,39,42H,13-14H2,1-4H3,(H,35,43)(H,36,44)InChIKey
UBAYUTVUTWEHOL-UHFFFAOYSA-NSynonyms
1676074-57-9102564781
1676074579
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(2hydroxy6methoxyquinolin3yl)propanoate)
DIMETHYL33(25DIHYDROXY36DIOXOCYCLOHEXA14DIENE14DIYL)BIS(3(6METHOXY2OXO12DIHYDROQUINOLIN3YL)PROPANOATE)
InChI=1SC34H30N2O12c14517572315(917)1121(33(43)3523)19(1325(37)473)2729(39)31(41)28(32(42)30(27)40)20(1426(38)484)2212161018(462)6824(16)3634(22)44h51219203942H1314H214H3(H3543)(H3644)
methyl3(25dihydroxy4(3methoxy1(6methoxy2oxo1~(H)quinolin3yl)3oxopropyl)36dioxocyclohexa14dien1yl)3(6methoxy2oxo1~(H)quinolin3yl)propanoate
MFCD31756200
ZINC000218027776
ZINC000218027940
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