Vitas-M small molecule compound

methyl 2-[(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropanoate

Catalog ID
STK683150
SMILES COC(=O)C(C(F)(F)F)(CC1=NC(C)(C)Cc2c1cc(OC)c(c2)OC)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 C18H22F3NO5 MW 389.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22F3NO5/c1-16(2)8-10-6-13(25-3)14(26-4)7-11(10)12(22-16)9-17(24,15(23)27-5)18(19,20)21/h6-7,24H,8-9H2,1-5H3
InChIKey
XJHMCGFNHASTHP-UHFFFAOYSA-N
Synonyms
2HYDROXY2TRIFLUOROMETHYL3((34DIHYDRO33DIMETHYL67DIMETHOXYISOQUINOLIN)1YL)PROPANOICACIDMETHYLESTER
CC1(CC2=CC(=C(C=C2C(=N1)CC(C(=O)OC)(C(F)(F)F)O)OC)OC)C
methyl2((67dimethoxy33dimethyl34dihydroisoquinolin1yl)methyl)333trifluoro2hydroxypropanoate
METHYL2((67DIMETHOXY33DIMETHYL4HISOQUINOLIN1YL)METHYL)333TRIFLUORO2HYDROXYPROPANOATE
Registry IDs
MFCD00788484
ZINC000004686037
ZINC000004686038

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Available files

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