Vitas-M small molecule compound

methyl 3-(acetylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Catalog ID
STK188942
SMILES COC(=O)c1ccc(c(c1)NC(=O)C)N1CCN(CC1)C(=O)c1ccccc1

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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 C21H23N3O4 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4/c1-15(25)22-18-14-17(21(27)28-2)8-9-19(18)23-10-12-24(13-11-23)20(26)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,22,25)
InChIKey
KXIVRAVCPKDHJW-UHFFFAOYSA-N
Synonyms

CC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C(=O)C3=CC=CC=C3
InChI=1SC21H23N3O4c115(25)22181417(21(27)282)8919(18)23101224(131123)20(26)166435716h3914H1013H212H3(H2225)
METHYL3(ACETYLAMINO)4(4(PHENYLCARBONYL)PIPERAZIN1YL)BENZOATE
METHYL3(ACETYLAMINO)4(4BENZOYLPIPERAZIN1YL)BENZOATE
METHYL3ACETAMIDO4(4BENZOYLPIPERAZIN1YL)BENZOATE
MFCD06665034
ZINC000004711652
ZINC04711652
ZINC4711652

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Available files

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