Vitas-M small molecule compound

3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-one

Catalog ID
STL461196
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1cccc2c1cccc2

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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 C34H37NO5 MW 539.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37NO5/c1-22-27-13-15-30(39-21-25-10-7-9-24-8-3-4-12-29(24)25)23(2)32(27)40-33(37)28(22)14-16-31(36)35-19-18-34(38)17-6-5-11-26(34)20-35/h3-4,7-10,12-13,15,26,38H,5-6,11,14,16-21H2,1-2H3
InChIKey
KJLKOILTQPLFKX-UHFFFAOYSA-N
Synonyms

3(3(4ahydroxy13456788aoctahydroisoquinolin2yl)3oxopropyl)48dimethyl7(naphthalen1ylmethoxy)chromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl7(naphthalen1ylmethoxy)2Hchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=CC4=CC=CC=C43)CCC(=O)N5CCC6(CCCCC6C5)O
InChI=1SC34H37NO5c12227131530(3921251079248341229(24)25)23(2)32(27)4033(37)28(22)141631(36)35191834(38)17651126(34)2035h347101213152638H5611141621H212H3
MFCD10040854
ZINC000002111264
ZINC000011867168

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Available files

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