Vitas-M small molecule compound
7-[(2-fluorobenzyl)oxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL546464
SMILES O=C(N1CCC2(C(C1)CCCC2)O)Cc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccccc1F
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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 C29H32FNO5 MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32FNO5/c1-18-22-10-11-25(35-17-20-7-3-4-9-24(20)30)19(2)27(22)36-28(33)23(18)15-26(32)31-14-13-29(34)12-6-5-8-21(29)16-31/h3-4,7,9-11,21,34H,5-6,8,12-17H2,1-2H3InChIKey
GHANDKCGDDZFDT-UHFFFAOYSA-NSynonyms
3(2(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2oxoethyl)7((2fluorophenyl)methoxy)48dimethylchromen2one
4555985
7((2fluorobenzyl)oxy)3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)48dimethyl2Hchromen2one
InChI=1SC29H32FNO5c11822101125(351720734924(20)30)19(2)27(22)3628(33)23(18)1526(32)31141329(34)1265821(29)1631h3479112134H5681217H212H3
MFCD31756411
ZINC000002111579
ZINC000015954941
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