Vitas-M small molecule compound

methyl 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-3-carboxylate

Catalog ID
STK061729
SMILES COC(=O)C1N=C(Cc2ccc(c(c2)OC)OC)c2c(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 C22H25NO6 MW 399.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO6/c1-25-18-7-6-13(9-19(18)26-2)8-16-15-12-21(28-4)20(27-3)11-14(15)10-17(23-16)22(24)29-5/h6-7,9,11-12,17H,8,10H2,1-5H3
InChIKey
XHQJZJDCMCVSMH-UHFFFAOYSA-N
Synonyms

COC(=O)C1N=C(Cc2ccc(c(c2)OC)OC)c2c(C1)cc(c(c2)OC)OC
COC1=C(C=C(C=C1)CC2=NC(CC3=CC(=C(C=C32)OC)OC)C(=O)OC)OC
InChI=1SC22H25NO6c125187613(919(18)262)816151221(284)20(273)1114(15)1017(2316)22(24)295h679111217H810H215H3
METHYL(3R)1(34DIMETHOXYBENZYL)67DIMETHOXY34DIHYDROISOQUINOLINE3CARBOXYLATE
METHYL(3S)1(34DIMETHOXYBENZYL)67DIMETHOXY34DIHYDROISOQUINOLINE3CARBOXYLATE
METHYL1((34DIMETHOXYPHENYL)METHYL)67DIMETHOXY34DIHYDROISOQUINOLINE3CARBOXYLATE
METHYL1(34DIMETHOXYBENZYL)67DIMETHOXY34DIHYDROISOQUINOLINE3CARBOXYLATE
MFCD04227710
STK061729
ZINC000001460484
ZINC000001460485

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Available files

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