Vitas-M small molecule compound
7-[(4-fluorobenzyl)oxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-chromen-2-one
Catalog ID
STL545919
SMILES Fc1ccc(cc1)COc1ccc2c(c1)oc(=O)c(c2C)CCC(=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 C29H32FNO5 MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32FNO5/c1-19-24-10-9-23(35-18-20-5-7-22(30)8-6-20)16-26(24)36-28(33)25(19)11-12-27(32)31-15-14-29(34)13-3-2-4-21(29)17-31/h5-10,16,21,34H,2-4,11-15,17-18H2,1H3InChIKey
QMQOZGLKFHPECG-UHFFFAOYSA-NSynonyms
3(3(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)7((4fluorophenyl)methoxy)4methylchromen2one
3431350
7((4fluorobenzyl)oxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)4methyl2Hchromen2one
InChI=1SC29H32FNO5c1192410923(3518205722(30)8620)1626(24)3628(33)25(19)111227(32)31151429(34)1332421(29)1731h510162134H2411151718H21H3
MFCD31756319
ZINC000002109714
ZINC000015954354
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