Vitas-M small molecule compound

N-[(E)-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl](phenyl)methylidene]benzenesulfonamide

Catalog ID
STK553169
SMILES CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)/C(=N/S(=O)(=O)c1ccccc1)/c1ccccc1

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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 C37H42N2O6S MW 642.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42N2O6S/c1-5-42-33-20-19-27(24-34(33)43-6-2)23-32-31-26-36(45-8-4)35(44-7-3)25-29(31)21-22-39(32)37(28-15-11-9-12-16-28)38-46(40,41)30-17-13-10-14-18-30/h9-20,24-26,32H,5-8,21-23H2,1-4H3/b38-37+
InChIKey
WEKRSCBNGNLYRO-HEFFKOSUSA-N
Synonyms

(E)N((1(34diethoxybenzyl)67diethoxy34dihydroisoquinolin2(1H)yl)(phenyl)methylene)benzenesulfonamide
(NE)N((1((34diethoxyphenyl)methyl)67diethoxy34dihydro1Hisoquinolin2yl)phenylmethylidene)benzenesulfonamide
CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=NS(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5)OCC)OCC)OCC
CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=NS(=O)(=O)c1ccccc1)c1ccccc1
InChI=1SC37H42N2O6Sc154233201927(2434(33)4362)2332312636(4584)35(4473)2529(31)212239(32)37(2815119121628)3846(4041)30171310141830h920242632H582123H214H3b3837+
MFCD03679224
N((E)(1(34diethoxybenzyl)67diethoxy34dihydroisoquinolin2(1H)yl)(phenyl)methylidene)benzenesulfonamide
ZINC000097966716
ZINC000097966717

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Available files

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