Vitas-M small molecule compound

dimethyl 5-{[(4-methylpiperazin-1-yl)acetyl]amino}benzene-1,3-dicarboxylate

Catalog ID
STK495195
SMILES COC(=O)c1cc(NC(=O)CN2CCN(CC2)C)cc(c1)C(=O)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 C17H23N3O5 MW 349.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N3O5/c1-19-4-6-20(7-5-19)11-15(21)18-14-9-12(16(22)24-2)8-13(10-14)17(23)25-3/h8-10H,4-7,11H2,1-3H3,(H,18,21)
InChIKey
RWNNXECYSHBUBB-UHFFFAOYSA-N
Synonyms
491867-76-6
491867766
CN1CCN(CC1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC
dimethyl5(((4methylpiperazin1yl)acetyl)amino)benzene13dicarboxylate
DIMETHYL5((2(4METHYLPIPERAZIN1YL)ACETYL)AMINO)BENZENE13DICARBOXYLATE
InChI=1SC17H23N3O5c1194620(7519)1115(21)1814912(16(22)242)813(1014)17(23)253h810H4711H213H3(H1821)
METHYL3(METHOXYCARBONYL)5(2(4METHYLPIPERAZINYL)ACETYLAMINO)BENZOATE
MFCD02956293
ZINC000022595576
ZINC22595576

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Available files

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