Vitas-M small molecule compound
3-benzyl-5-[2-(4a-hydroxy-1-phenyloctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,7-dimethyl-2H-chromen-2-one
Catalog ID
STL565874
SMILES Cc1cc(OCC(=O)N2CCC3(C(C2c2ccccc2)CCCC3)O)c2c(c1)oc(=O)c(c2C)Cc1ccccc1
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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 C35H37NO5 MW 551.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H37NO5/c1-23-19-29(32-24(2)27(34(38)41-30(32)20-23)21-25-11-5-3-6-12-25)40-22-31(37)36-18-17-35(39)16-10-9-15-28(35)33(36)26-13-7-4-8-14-26/h3-8,11-14,19-20,28,33,39H,9-10,15-18,21-22H2,1-2H3InChIKey
GMHSOQKFMKPRQJ-UHFFFAOYSA-NSynonyms
3788558
3benzyl5(2((1R)4ahydroxy1phenyloctahydroisoquinolin2(1H)yl)2oxoethoxy)47dimethyl2Hchromen2one
3benzyl5(2(4ahydroxy1phenyloctahydroisoquinolin2(1H)yl)2oxoethoxy)47dimethyl2Hchromen2one
5(2(4ahydroxy1phenyl13456788aoctahydroisoquinolin2yl)2oxoethoxy)3benzyl47dimethylchromen2one
Cc1cc(OCC(=O)N2CCC3(C((C@@H)2c2ccccc2)CCCC3)O)c2c(c1)oc(=O)c(c2C)Cc1ccccc1
InChI=1SC35H37NO5c1231929(3224(2)27(34(38)4130(32)2023)2125115361225)402231(37)36181735(39)161091528(35)33(36)26137481426h3811141920283339H91015182122H212H3
MFCD07197570
ZINC000002112225
ZINC000253487188
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