Vitas-M small molecule compound
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-[(2-methoxybenzyl)oxy]-4-methyl-2H-chromen-2-one
Catalog ID
STL461168
SMILES COc1ccccc1COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)N1CCC2(C(C1)CCCC2)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 C29H33NO6 MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6/c1-19-23-11-10-22(35-18-20-7-3-4-9-25(20)34-2)15-26(23)36-28(32)24(19)16-27(31)30-14-13-29(33)12-6-5-8-21(29)17-30/h3-4,7,9-11,15,21,33H,5-6,8,12-14,16-18H2,1-2H3InChIKey
INJWYKXINWTLFR-UHFFFAOYSA-NSynonyms
3(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)7((2methoxyphenyl)methoxy)4methylchromen2one
3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)7((2methoxybenzyl)oxy)4methyl2Hchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=CC=C3OC)CC(=O)N4CCC5(CCCCC5C4)O
InChI=1SC29H33NO6c11923111022(351820734925(20)342)1526(23)3628(32)24(19)1627(31)30141329(33)1265821(29)1730h347911152133H56812141618H212H3
MFCD10040832
ZINC000002111275
ZINC000011867094
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