Vitas-M small molecule compound
7-[(3,5-dimethylbenzyl)oxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL536997
SMILES Cc1cc(COc2ccc3c(c2C)oc(=O)c(c3C)CCC(=O)N2CCC3(C(C2)CCCC3)O)cc(c1)C
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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 C32H39NO5 MW 517.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39NO5/c1-20-15-21(2)17-24(16-20)19-37-28-10-8-26-22(3)27(31(35)38-30(26)23(28)4)9-11-29(34)33-14-13-32(36)12-6-5-7-25(32)18-33/h8,10,15-17,25,36H,5-7,9,11-14,18-19H2,1-4H3InChIKey
XYJOCHDMPQDHTH-UHFFFAOYSA-NSynonyms
3(3(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)7((35dimethylphenyl)methoxy)48dimethylchromen2one
3550637
7((35dimethylbenzyl)oxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl2Hchromen2one
InChI=1SC32H39NO5c1201521(2)1724(1620)1937281082622(3)27(31(35)3830(26)23(28)4)91129(34)33141332(36)1265725(32)1833h81015172536H57911141819H214H3
MFCD31754488
ZINC000002111020
ZINC000015954719
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