Vitas-M small molecule compound

2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 3,4-diethoxybenzoate

Catalog ID
STL099746
SMILES CCOc1cc(ccc1OCC)C(=O)OCC(=O)N1CCc2c(C1)cccc2

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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 C22H25NO5 MW 383.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5/c1-3-26-19-10-9-17(13-20(19)27-4-2)22(25)28-15-21(24)23-12-11-16-7-5-6-8-18(16)14-23/h5-10,13H,3-4,11-12,14-15H2,1-2H3
InChIKey
XHNHWDVBWCPDDY-UHFFFAOYSA-N
Synonyms

(2(34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)34DIETHOXYBENZOATE
2(34dihydroisoquinolin2(1H)yl)2oxoethyl34diethoxybenzoate
CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)OCC
InChI=1SC22H25NO5c13261910917(1320(19)2742)22(25)281521(24)23121116756818(16)1423h51013H3411121415H212H3
MFCD05288678
ZINC000003441848
ZINC03441848
ZINC3441848

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Available files

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