Vitas-M small molecule compound

(3,4-diethoxyphenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone

Catalog ID
STK577045
SMILES CCOc1cc(ccc1OCC)C(=O)N1CCc2c(C1)cc(c(c2)OC)OC

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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 C22H27NO5 MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5/c1-5-27-18-8-7-16(12-21(18)28-6-2)22(24)23-10-9-15-11-19(25-3)20(26-4)13-17(15)14-23/h7-8,11-13H,5-6,9-10,14H2,1-4H3
InChIKey
XPBJGEREBJIIRG-UHFFFAOYSA-N
Synonyms

(34DIETHOXYPHENYL)(67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)METHANONE
(34diethoxyphenyl)(67dimethoxy34dihydroisoquinolin2(1H)yl)methanone
CCOC1=C(C=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)OCC
InChI=1SC22H27NO5c1527188716(1221(18)2862)22(24)23109151119(253)20(264)1317(15)1423h781113H5691014H214H3
MFCD06596441
ZINC000002204476
ZINC02204476
ZINC2204476

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Available files

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