Vitas-M small molecule compound
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}propanoate
Catalog ID
STL545972
SMILES COC(=O)CC(c1oc(CN2CCc3c(C2)cc(c(c3)OC)OC)cc(=O)c1O)c1ccc2c(c1)OCCO2
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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 C29H31NO9 MW 537.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO9/c1-34-24-10-17-6-7-30(15-19(17)12-25(24)35-2)16-20-13-22(31)28(33)29(39-20)21(14-27(32)36-3)18-4-5-23-26(11-18)38-9-8-37-23/h4-5,10-13,21,33H,6-9,14-16H2,1-3H3InChIKey
ZRHSUECVJCDPQJ-UHFFFAOYSA-NSynonyms
121542015
InChI=1SC29H31NO9c1342410176730(1519(17)1225(24)352)16201322(31)28(33)29(3920)21(1427(32)363)18452326(1118)38983723h4510132133H691416H213H3
methyl3(23dihydro14benzodioxin6yl)3(6((67dimethoxy34dihydro1~(H)isoquinolin2yl)methyl)3hydroxy4oxopyran2yl)propanoate
methyl3(23dihydro14benzodioxin6yl)3(6((67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)propanoate
METHYL3(23DIHYDROBENZO(B)(14)DIOXIN6YL)3(6((67DIMETHOXY34DIHYDROISOQUINOLIN2(1H)YL)METHYL)3HYDROXY4OXO4HPYRAN2YL)PROPANOATE
MFCD30344507
ZINC000263586924
ZINC000263586925
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