Vitas-M small molecule compound
3-(4-bromophenyl)-6-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl-7H-furo[3,2-g]chromen-7-one
Catalog ID
STL536755
SMILES Brc1ccc(cc1)c1coc2c1cc1c(c2)oc(=O)c(c1C)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 C29H28BrNO5 MW 550.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28BrNO5/c1-17-21-12-23-24(18-5-7-20(30)8-6-18)16-35-25(23)14-26(21)36-28(33)22(17)13-27(32)31-11-10-29(34)9-3-2-4-19(29)15-31/h5-8,12,14,16,19,34H,2-4,9-11,13,15H2,1H3InChIKey
IIXHIZATWPURFZ-UHFFFAOYSA-NSynonyms
3(4bromophenyl)6(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)5methyl7Hfuro(32g)chromen7one
3572476
6(2(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2oxoethyl)3(4bromophenyl)5methylfuro(32g)chromen7one
InChI=1SC29H28BrNO5c11721122324(185720(30)8618)163525(23)1426(21)3628(33)22(17)1327(32)31111029(34)932419(29)1531h581214161934H249111315H21H3
MFCD31754479
ZINC000002108842
ZINC000104071308
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