Vitas-M small molecule compound

methyl 3-[3-acetyl-2,6-dihydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]propanoate

Catalog ID
STL551388
SMILES COC(=O)CC(c1c(O)c(cc(c1O)C1OCc2c1c(O)c(nc2)C)C(=O)C)c1ccc(cc1)OC(F)(F)F

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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 C27H24F3NO8 MW 547.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24F3NO8/c1-12-23(34)21-15(10-31-12)11-38-26(21)19-8-17(13(2)32)24(35)22(25(19)36)18(9-20(33)37-3)14-4-6-16(7-5-14)39-27(28,29)30/h4-8,10,18,26,34-36H,9,11H2,1-3H3
InChIKey
XSWHFVJCMPNOSM-UHFFFAOYSA-N
Synonyms

129895275
InChI=1SC27H24F3NO8c11223(34)2115(103112)113826(21)19817(13(2)32)24(35)22(25(19)36)18(920(33)373)144616(7514)3927(2829)30h481018263436H911H213H3
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(4(trifluoromethoxy)phenyl)propanoate
MFCD31758107
ZINC000524730801
ZINC000524730804

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.