Vitas-M small molecule compound

methyl 3-[3-(difluoromethoxy)phenyl]-3-[6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]propanoate

Catalog ID
STL550969
SMILES COC(=O)CC(c1oc(CN2CCc3c(C2)cccc3)cc(=O)c1O)c1cccc(c1)OC(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 C26H25F2NO6 MW 485.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25F2NO6/c1-33-23(31)13-21(17-7-4-8-19(11-17)35-26(27)28)25-24(32)22(30)12-20(34-25)15-29-10-9-16-5-2-3-6-18(16)14-29/h2-8,11-12,21,26,32H,9-10,13-15H2,1H3
InChIKey
XFOFESVOAYUOMW-UHFFFAOYSA-N
Synonyms

129895189
InChI=1SC26H25F2NO6c13323(31)1321(1774819(1117)3526(27)28)2524(32)22(30)1220(3425)152910916523618(16)1429h281112212632H9101315H21H3
methyl3(3(difluoromethoxy)phenyl)3(6((34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)propanoate
methyl3(3(difluoromethoxy)phenyl)3(6(34dihydro1~(H)isoquinolin2ylmethyl)3hydroxy4oxopyran2yl)propanoate
methyl3(3(difluoromethoxy)phenyl)3(6(34dihydroisoquinolin2(1H)ylmethyl)3hydroxy4oxo4Hpyran2yl)propanoate
MFCD31757879
ZINC000524730787
ZINC000524730788

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Available files

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