Vitas-M small molecule compound

4-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,5-dioxaspiro[5.5]undec-3-en-2-one

Catalog ID
STK580102
SMILES OC1=C(C(=O)OC2(O1)CCCCC2)C1NCCc2c1cccc2

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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 C18H21NO4 MW 315.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO4/c20-16-14(15-13-7-3-2-6-12(13)8-11-19-15)17(21)23-18(22-16)9-4-1-5-10-18/h2-3,6-7,15,19-20H,1,4-5,8-11H2
InChIKey
XGGGHWHZQTZTRR-UHFFFAOYSA-N
Synonyms
902331-23-1
2hydroxy3(1234tetrahydroisoquinolin1yl)15dioxaspiro(55)undec2en4one
4hydroxy3(1234tetrahydroisoquinolin1yl)15dioxaspiro(55)undec3en2one
902331231
C1CCC2(CC1)OC(=C(C(=O)O2)C3C4=CC=CC=C4CCN3)O
InChI=1SC18H21NO4c201614(1513732612(13)8111915)17(21)2318(2216)94151018h2367151920H145811H2
MFCD06791892
ZINC000005348603
ZINC000005348604

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Available files

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