Vitas-M small molecule compound
7-[(3-bromobenzyl)oxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-2H-chromen-2-one
Catalog ID
STL537176
SMILES Brc1cccc(c1)COc1ccc2c(c1)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 C28H30BrNO5 MW 540.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO5/c1-18-23-9-8-22(34-17-19-5-4-7-21(29)13-19)14-25(23)35-27(32)24(18)15-26(31)30-12-11-28(33)10-3-2-6-20(28)16-30/h4-5,7-9,13-14,20,33H,2-3,6,10-12,15-17H2,1H3InChIKey
KZCOCSAIZFOLKY-UHFFFAOYSA-NSynonyms
3(2(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2oxoethyl)7((3bromophenyl)methoxy)4methylchromen2one
5133335
7((3bromobenzyl)oxy)3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)4methyl2Hchromen2one
InChI=1SC28H30BrNO5c118239822(34171954721(29)1319)1425(23)3527(32)24(18)1526(31)30121128(33)1032620(28)1630h457913142033H23610121517H21H3
MFCD31754494
ZINC000070687443
ZINC000110119682
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