Vitas-M small molecule compound

5-(3,4-dimethoxyphenyl)-2-({[2-(1H-imidazol-4-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione

Catalog ID
STK207321
SMILES COc1cc(ccc1OC)C1CC(=O)/C(=C/NCCc2c[nH]cn2)/C(=O)C1

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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 C20H23N3O4 MW 369.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O4/c1-26-19-4-3-13(9-20(19)27-2)14-7-17(24)16(18(25)8-14)11-21-6-5-15-10-22-12-23-15/h3-4,9-12,14,21H,5-8H2,1-2H3,(H,22,23)/b16-11-
InChIKey
QUQNBVLTMGEXGP-WJDWOHSUSA-N
Synonyms

5(34dimethoxyphenyl)2(((2(1Himidazol4yl)ethyl)amino)methylidene)cyclohexane13dione
COc1cc(ccc1OC)C1CC(=O)C(=CNCCc2c(nH)cn2)C(=O)C1
MFCD06240489
ZINC000003766889

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Available files

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