Vitas-M small molecule compound
methyl 3-{6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate
Catalog ID
STL548448
SMILES COC(=O)CC(c1oc(CN2CCc3c(C2)cc(c(c3)OC)OC)cc(=O)c1O)c1cc(OC)c2c(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 C29H31NO10 MW 553.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO10/c1-34-22-7-16-5-6-30(13-18(16)10-23(22)35-2)14-19-11-21(31)27(33)28(40-19)20(12-26(32)37-4)17-8-24(36-3)29-25(9-17)38-15-39-29/h7-11,20,33H,5-6,12-15H2,1-4H3InChIKey
VRMSVBOSAZCXEZ-UHFFFAOYSA-NSynonyms
122170197
InChI=1SC29H31NO10c134227165630(1318(16)1023(22)352)14191121(31)27(33)28(4019)20(1226(32)374)17824(363)2925(917)38153929h7112033H561215H214H3
methyl3(6((67dimethoxy34dihydro1~(H)isoquinolin2yl)methyl)3hydroxy4oxopyran2yl)3(7methoxy13benzodioxol5yl)propanoate
methyl3(6((67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(7methoxy13benzodioxol5yl)propanoate
methyl3(6((67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(7methoxybenzo(d)(13)dioxol5yl)propanoate
MFCD31756759
ZINC000409415652
ZINC000409415653
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