Vitas-M small molecule compound
[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone
Catalog ID
STK549262
SMILES CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)c1cccc(c1)F
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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 C31H36FNO5 MW 521.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36FNO5/c1-5-35-27-13-12-21(17-28(27)36-6-2)16-26-25-20-30(38-8-4)29(37-7-3)19-22(25)14-15-33(26)31(34)23-10-9-11-24(32)18-23/h9-13,17-20,26H,5-8,14-16H2,1-4H3InChIKey
YEPLBRHWXGVIMD-UHFFFAOYSA-NSynonyms
672899-90-0(1((34DIETHOXYPHENYL)METHYL)67DIETHOXY34DIHYDRO1HISOQUINOLIN2YL)(3FLUOROPHENYL)METHANONE
(1(34diethoxybenzyl)67diethoxy34dihydroisoquinolin2(1H)yl)(3fluorophenyl)methanone
672899900
CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)C4=CC(=CC=C4)F)OCC)OCC)OCC
InChI=1SC31H36FNO5c153527131221(1728(27)3662)1626252030(3884)29(3773)1922(25)141533(26)31(34)231091124(32)1823h913172026H581416H214H3
MFCD03678443
ZINC000001826751
ZINC000001826752
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