Vitas-M small molecule compound
7-[(4-bromobenzyl)oxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL461160
SMILES Brc1ccc(cc1)COc1ccc2c(c1C)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 C29H32BrNO5 MW 554.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32BrNO5/c1-18-23-10-11-25(35-17-20-6-8-22(30)9-7-20)19(2)27(23)36-28(33)24(18)15-26(32)31-14-13-29(34)12-4-3-5-21(29)16-31/h6-11,21,34H,3-5,12-17H2,1-2H3InChIKey
HBHDPJQVFIPFQI-UHFFFAOYSA-NSynonyms
3(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)7((4bromophenyl)methoxy)48dimethylchromen2one
7((4bromobenzyl)oxy)3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)48dimethyl2Hchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)Br)CC(=O)N4CCC5(CCCCC5C4)O
InChI=1SC29H32BrNO5c11823101125(3517206822(30)9720)19(2)27(23)3628(33)24(18)1526(32)31141329(34)1243521(29)1631h6112134H351217H212H3
MFCD07208193
ZINC000002111762
ZINC000011867076
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