Vitas-M small molecule compound
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-7-[(2-methylbenzyl)oxy]-2H-chromen-2-one
Catalog ID
STL541955
SMILES O=C(N1CCC2(C(C1)CCCC2)O)Cc1c(=O)oc2c(c1C)ccc(c2)OCc1ccccc1C
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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 C29H33NO5 MW 475.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5/c1-19-7-3-4-8-21(19)18-34-23-10-11-24-20(2)25(28(32)35-26(24)15-23)16-27(31)30-14-13-29(33)12-6-5-9-22(29)17-30/h3-4,7-8,10-11,15,22,33H,5-6,9,12-14,16-18H2,1-2H3InChIKey
KAMCCBBMMFEIJI-UHFFFAOYSA-NSynonyms
3(2(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2oxoethyl)4methyl7((2methylphenyl)methoxy)chromen2one
3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)4methyl7((2methylbenzyl)oxy)2Hchromen2one
3456932
InChI=1SC29H33NO5c119734821(19)18342310112420(2)25(28(32)3526(24)1523)1627(31)30141329(33)1265922(29)1730h34781011152233H56912141618H212H3
MFCD31755474
ZINC000002108398
ZINC000015953911
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