Vitas-M small molecule compound
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(1,3-benzodioxol-5-yl)propanoate]
Catalog ID
STL543303
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc2c(c1)OCO2)CC(=O)OC)c1ccc2c(c1)OCO2
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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/c1-35-21(29)9-15(13-3-5-17-19(7-13)39-11-37-17)23-25(31)27(33)24(28(34)26(23)32)16(10-22(30)36-2)14-4-6-18-20(8-14)40-12-38-18/h3-8,15-16,31,34H,9-12H2,1-2H3InChIKey
FPVGIUUFMFAXBR-UHFFFAOYSA-NSynonyms
1676077-72-7102564684
1676077727
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(13benzodioxol5yl)propanoate)
DIMETHYL33(25DIHYDROXY36DIOXOCYCLOHEXA14DIENE14DIYL)BIS(3(BENZO(D)(13)DIOXOL5YL)PROPANOATE)
InChI=1SC28H24O12c13521(29)915(13351719(713)39113717)2325(31)27(33)24(28(34)26(23)32)16(1022(30)362)14461820(814)40123818h3815163134H912H212H3
methyl3(13benzodioxol5yl)3(4(1(13benzodioxol5yl)3methoxy3oxopropyl)25dihydroxy36dioxocyclohexa14dien1yl)propanoate
MFCD28985591
ZINC000218001600
ZINC000218001756
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