Vitas-M small molecule compound

N-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-4-nitrobenzamide

Catalog ID
STK008599
SMILES COc1cc(ccc1OC)C1N(NC(=O)c2ccc(cc2)[N+](=O)[O-])C(=O)Cc2c1cc(OC)c(c2)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 C26H25N3O8 MW 507.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O8/c1-34-20-10-7-16(11-21(20)35-2)25-19-14-23(37-4)22(36-3)12-17(19)13-24(30)28(25)27-26(31)15-5-8-18(9-6-15)29(32)33/h5-12,14,25H,13H2,1-4H3,(H,27,31)
InChIKey
BYHOKXPCNPLDFP-UHFFFAOYSA-N
Synonyms
553628-55-0
553628550
COC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2NC(=O)C4=CC=C(C=C4)(N+)(=O)(O))OC)OC)OC
COc1cc(ccc1OC)C1N(NC(=O)c2ccc(cc2)(N+)(=O)(O))C(=O)Cc2c1cc(OC)c(c2)OC
InChI=1SC26H25N3O8c1342010716(1121(20)352)25191423(374)22(363)1217(19)1324(30)28(25)2726(31)155818(9615)29(32)33h5121425H13H214H3(H2731)
MFCD03164130
N(1(34DIMETHOXYPHENYL)67DIMETHOXY3OXO14DIHYDROISOQUINOLIN2YL)4NITROBENZAMIDE
N(1(34DIMETHOXYPHENYL)67DIMETHOXY3OXO34DIHYDRO2(1H)ISOQUINOLINYL)4NITROBENZAMIDE
N(1(34DIMETHOXYPHENYL)67DIMETHOXY3OXO34DIHYDROISOQUINOLIN2(1H)YL)4NITROBENZAMIDE
STK008599
ZINC000012285398
ZINC000012285399
ZINC12285399

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Available files

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