Vitas-M small molecule compound
3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-7-[(4-methylbenzyl)oxy]-2H-chromen-2-one
Catalog ID
STL541816
SMILES Cc1ccc(cc1)COc1ccc2c(c1)oc(=O)c(c2C)CCC(=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 C30H35NO5 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO5/c1-20-6-8-22(9-7-20)19-35-24-10-11-25-21(2)26(29(33)36-27(25)17-24)12-13-28(32)31-16-15-30(34)14-4-3-5-23(30)18-31/h6-11,17,23,34H,3-5,12-16,18-19H2,1-2H3InChIKey
KHUNKEIZKGTITM-UHFFFAOYSA-NSynonyms
3(3(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)4methyl7((4methylphenyl)methoxy)chromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)4methyl7((4methylbenzyl)oxy)2Hchromen2one
3843773
InChI=1SC30H35NO5c1206822(9720)19352410112521(2)26(29(33)3627(25)1724)121328(32)31161530(34)1443523(30)1831h611172334H3512161819H212H3
MFCD31755448
ZINC000002112082
ZINC000015955216
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