Vitas-M small molecule compound
7-[(2,5-dimethylbenzyl)oxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-2H-chromen-2-one
Catalog ID
STL461167
SMILES Cc1ccc(c(c1)COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)N1CCC2(C(C1)CCCC2)O)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 C30H35NO5 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO5/c1-19-7-8-20(2)22(14-19)18-35-24-9-10-25-21(3)26(29(33)36-27(25)15-24)16-28(32)31-13-12-30(34)11-5-4-6-23(30)17-31/h7-10,14-15,23,34H,4-6,11-13,16-18H2,1-3H3InChIKey
ZAGYULRRGSGPJG-UHFFFAOYSA-NSynonyms
3(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)7((25dimethylphenyl)methoxy)4methylchromen2one
7((25dimethylbenzyl)oxy)3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)4methyl2Hchromen2one
CC1=CC(=C(C=C1)C)COC2=CC3=C(C=C2)C(=C(C(=O)O3)CC(=O)N4CCC5(CCCCC5C4)O)C
InChI=1SC30H35NO5c1197820(2)22(1419)1835249102521(3)26(29(33)3627(25)1524)1628(32)31131230(34)1154623(30)1731h71014152334H4611131618H213H3
MFCD10040831
ZINC000002111471
ZINC000011867092
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