Vitas-M small molecule compound
4,4'-[(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis(3-methoxy-3-oxopropane-1,1-diyl)]dibenzoic acid
Catalog ID
STL543354
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(cc1)C(=O)O)CC(=O)OC)c1ccc(cc1)C(=O)O
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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 C28H24O12 MW 552.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24O12/c1-39-19(29)11-17(13-3-7-15(8-4-13)27(35)36)21-23(31)25(33)22(26(34)24(21)32)18(12-20(30)40-2)14-5-9-16(10-6-14)28(37)38/h3-10,17-18,31,34H,11-12H2,1-2H3,(H,35,36)(H,37,38)InChIKey
PMXZPAQTRXKSQB-UHFFFAOYSA-NSynonyms
1676083-57-0102565035
1676083570
4(1(4(1(4carboxyphenyl)3methoxy3oxopropyl)25dihydroxy36dioxocyclohexa14dien1yl)3methoxy3oxopropyl)benzoicacid
44((25dihydroxy36dioxocyclohexa14diene14diyl)bis(3methoxy3oxopropane11diyl))dibenzoicacid
InChI=1SC28H24O12c13919(29)1117(133715(8413)27(35)36)2123(31)25(33)22(26(34)24(21)32)18(1220(30)402)145916(10614)28(37)38h31017183134H1112H212H3(H3536)(H3738)
MFCD28985918
ZINC000218089735
ZINC000218089896
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