Vitas-M small molecule compound
methyl 3-[6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate
Catalog ID
STL549833
SMILES COC(=O)CC(c1oc(CN2CCc3c(C2)cccc3)cc(=O)c1O)c1cc(OC)c2c(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 C28H29NO8 MW 507.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO8/c1-33-23-11-19(12-24-28(23)36-10-9-35-24)21(14-25(31)34-2)27-26(32)22(30)13-20(37-27)16-29-8-7-17-5-3-4-6-18(17)15-29/h3-6,11-13,21,32H,7-10,14-16H2,1-2H3InChIKey
ZTBKENIMFRDWPC-UHFFFAOYSA-NSynonyms
129895568
InChI=1SC28H29NO8c133231119(122428(23)361093524)21(1425(31)342)2726(32)22(30)1320(3727)16298717534618(17)1529h3611132132H7101416H212H3
methyl3(6((34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(8methoxy23dihydrobenzo(b)(14)dioxin6yl)propanoate
methyl3(6(34dihydro1~(H)isoquinolin2ylmethyl)3hydroxy4oxopyran2yl)3(5methoxy23dihydro14benzodioxin7yl)propanoate
methyl3(6(34dihydroisoquinolin2(1H)ylmethyl)3hydroxy4oxo4Hpyran2yl)3(8methoxy23dihydro14benzodioxin6yl)propanoate
MFCD31757234
ZINC000524731491
ZINC000524731492
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