Vitas-M small molecule compound

methyl 6,7-dimethoxy-1-(2-nitrophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK665722
SMILES COC(=O)N1CCc2c(C1c1ccccc1[N+](=O)[O-])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 C19H20N2O6 MW 372.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O6/c1-25-16-10-12-8-9-20(19(22)27-3)18(14(12)11-17(16)26-2)13-6-4-5-7-15(13)21(23)24/h4-7,10-11,18H,8-9H2,1-3H3
InChIKey
QRVHIAHITXAEKP-UHFFFAOYSA-N
Synonyms

COC(=O)N1CCc2c(C1c1ccccc1(N+)(=O)(O))cc(c(c2)OC)OC
COC1=C(C=C2C(N(CCC2=C1)C(=O)OC)C3=CC=CC=C3(N+)(=O)(O))OC
InChI=1SC19H20N2O6c1251610128920(19(22)273)18(14(12)1117(16)262)13645715(13)21(23)24h47101118H89H213H3
methyl67dimethoxy1(2nitrophenyl)34dihydro1Hisoquinoline2carboxylate
methyl67dimethoxy1(2nitrophenyl)34dihydroisoquinoline2(1H)carboxylate
MFCD09064886
ZINC000012419689
ZINC000012419692

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Available files

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