Vitas-M small molecule compound

N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide

Catalog ID
STK666553
SMILES COc1ccc(cc1OC)C(c1nccc2c1cc(OC)c(c2)OC)NS(=O)(=O)c1ccc(c(c1)F)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 C27H27FN2O7S MW 542.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN2O7S/c1-33-21-9-7-18(14-20(21)28)38(31,32)30-26(17-6-8-22(34-2)23(13-17)35-3)27-19-15-25(37-5)24(36-4)12-16(19)10-11-29-27/h6-15,26,30H,1-5H3
InChIKey
UUUDQHCRVBBLKE-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)NS(=O)(=O)C4=CC(=C(C=C4)OC)F)OC
InChI=1SC27H27FN2O7Sc133219718(1420(21)28)38(3132)3026(176822(342)23(1317)353)27191525(375)24(364)1216(19)10112927h6152630H15H3
MFCD10038161
N((67dimethoxyisoquinolin1yl)(34dimethoxyphenyl)methyl)3fluoro4methoxybenzenesulfonamide
ZINC000100236390
ZINC000100236394

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Available files

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