Vitas-M small molecule compound
methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-[4-(octyloxy)phenyl]propanoate
Catalog ID
STL545689
SMILES CCCCCCCCOc1ccc(cc1)C(C1=C(O)C(=O)c2c(C1=O)cccc2)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 C28H32O6 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32O6/c1-3-4-5-6-7-10-17-34-20-15-13-19(14-16-20)23(18-24(29)33-2)25-26(30)21-11-8-9-12-22(21)27(31)28(25)32/h8-9,11-16,23,32H,3-7,10,17-18H2,1-2H3InChIKey
BTZRLEVHVFGPST-UHFFFAOYSA-NSynonyms
InChI=1SC28H32O6c13456710173420151319(141620)23(1824(29)332)2526(30)2111891222(21)27(31)28(25)32h8911162332H37101718H212H3
methyl3(3hydroxy14dioxo14dihydronaphthalen2yl)3(4(octyloxy)phenyl)propanoate
MFCD28349638
ZINC000217811552
ZINC000217811636
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