Vitas-M small molecule compound
methyl 3-(1,3-benzodioxol-5-yl)-3-[6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL550548
SMILES COC(=O)CC(c1oc(CN2CCc3c(C2)cccc3)cc(=O)c1O)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 C26H25NO7 MW 463.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO7/c1-31-24(29)12-20(17-6-7-22-23(10-17)33-15-32-22)26-25(30)21(28)11-19(34-26)14-27-9-8-16-4-2-3-5-18(16)13-27/h2-7,10-11,20,30H,8-9,12-15H2,1H3InChIKey
ACECLASWQNQELY-UHFFFAOYSA-NSynonyms
129895362
InChI=1SC26H25NO7c13124(29)1220(17672223(1017)33153222)2625(30)21(28)1119(3426)14279816423518(16)1327h2710112030H891215H21H3
methyl3(13benzodioxol5yl)3(6(34dihydro1~(H)isoquinolin2ylmethyl)3hydroxy4oxopyran2yl)propanoate
methyl3(13benzodioxol5yl)3(6(34dihydroisoquinolin2(1H)ylmethyl)3hydroxy4oxo4Hpyran2yl)propanoate
methyl3(benzo(d)(13)dioxol5yl)3(6((34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)propanoate
MFCD31757644
ZINC000524730218
ZINC000524730219
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