Vitas-M small molecule compound
methyl 3-[6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]-3-(3-hydroxyphenyl)propanoate
Catalog ID
STL549361
SMILES COC(=O)CC(c1oc(CN2CCc3c(C2)cccc3)cc(=O)c1O)c1cccc(c1)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 C25H25NO6 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO6/c1-31-23(29)13-21(17-7-4-8-19(27)11-17)25-24(30)22(28)12-20(32-25)15-26-10-9-16-5-2-3-6-18(16)14-26/h2-8,11-12,21,27,30H,9-10,13-15H2,1H3InChIKey
LUCSLKHDZTYDEB-UHFFFAOYSA-NSynonyms
129895895
InChI=1SC25H25NO6c13123(29)1321(1774819(27)1117)2524(30)22(28)1220(3225)152610916523618(16)1426h281112212730H9101315H21H3
methyl3(6((34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(3hydroxyphenyl)propanoate
methyl3(6(34dihydro1~(H)isoquinolin2ylmethyl)3hydroxy4oxopyran2yl)3(3hydroxyphenyl)propanoate
methyl3(6(34dihydroisoquinolin2(1H)ylmethyl)3hydroxy4oxo4Hpyran2yl)3(3hydroxyphenyl)propanoate
MFCD31756942
ZINC000524731823
ZINC000524731824
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