Vitas-M small molecule compound
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(7-methoxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)propanoate]
Catalog ID
STL543331
SMILES COC(=O)CC(c1cc2ccc(cc2n(c1=O)C)OC)C1=C(O)C(=O)C(=C(C1=O)O)C(c1cc2ccc(cc2n(c1=O)C)OC)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 C36H34N2O12 MW 686.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H34N2O12/c1-37-25-13-19(47-3)9-7-17(25)11-23(35(37)45)21(15-27(39)49-5)29-31(41)33(43)30(34(44)32(29)42)22(16-28(40)50-6)24-12-18-8-10-20(48-4)14-26(18)38(2)36(24)46/h7-14,21-22,41,44H,15-16H2,1-6H3InChIKey
LBKRBAIMUTXGMT-UHFFFAOYSA-NSynonyms
1676077-87-4102564815
1676077874
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(7methoxy1methyl2oxo12dihydroquinolin3yl)propanoate)
InChI=1SC36H34N2O12c137251319(473)9717(25)1123(35(37)45)21(1527(39)495)2931(41)33(43)30(34(44)32(29)42)22(1628(40)506)24121881020(484)1426(18)38(2)36(24)46h71421224144H1516H216H3
methyl3(25dihydroxy4(3methoxy1(7methoxy1methyl2oxoquinolin3yl)3oxopropyl)36dioxocyclohexa14dien1yl)3(7methoxy1methyl2oxoquinolin3yl)propanoate
MFCD28985706
ZINC000218036557
ZINC000218036725
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