Vitas-M small molecule compound
dimethyl 4,4'-[(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis(3-methoxy-3-oxopropane-1,1-diyl)]dibenzoate
Catalog ID
STL544665
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(cc1)C(=O)OC)CC(=O)OC)c1ccc(cc1)C(=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 C30H28O12 MW 580.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28O12/c1-39-21(31)13-19(15-5-9-17(10-6-15)29(37)41-3)23-25(33)27(35)24(28(36)26(23)34)20(14-22(32)40-2)16-7-11-18(12-8-16)30(38)42-4/h5-12,19-20,33,36H,13-14H2,1-4H3InChIKey
NZRVAJGQSHVAJR-UHFFFAOYSA-NSynonyms
1676085-96-3102564557
1676085963
dimethyl44((25dihydroxy36dioxocyclohexa14diene14diyl)bis(3methoxy3oxopropane11diyl))dibenzoate
InChI=1SC30H28O12c13921(31)1319(155917(10615)29(37)413)2325(33)27(35)24(28(36)26(23)34)20(1422(32)402)1671118(12816)30(38)424h51219203336H1314H214H3
methyl4(1(25dihydroxy4(3methoxy1(4methoxycarbonylphenyl)3oxopropyl)36dioxocyclohexa14dien1yl)3methoxy3oxopropyl)benzoate
MFCD28985460
ZINC000217970893
ZINC000217971059
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