Vitas-M small molecule compound

1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-(5-methoxy-1H-indol-1-yl)ethanone

Catalog ID
STL473116
SMILES COc1ccc2c(c1)ccn2CC(=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 C20H26N2O3 MW 342.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2O3/c1-25-17-5-6-18-15(12-17)7-10-21(18)14-19(23)22-11-9-20(24)8-3-2-4-16(20)13-22/h5-7,10,12,16,24H,2-4,8-9,11,13-14H2,1H3
InChIKey
BOUVCCVVUXMFJW-UHFFFAOYSA-N
Synonyms

1(4ahydroxy13456788aoctahydroisoquinolin2yl)2(5methoxyindol1yl)ethanone
1(4ahydroxyoctahydroisoquinolin2(1H)yl)2(5methoxy1Hindol1yl)ethanone
COC1=CC2=C(C=C1)N(C=C2)CC(=O)N3CCC4(CCCCC4C3)O
InChI=1SC20H26N2O3c12517561815(1217)71021(18)1419(23)2211920(24)832416(20)1322h5710121624H2489111314H21H3
MFCD27962528
ZINC000079189299
ZINC000096343854

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.