Vitas-M small molecule compound

ethyl 4-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoyl]piperazine-1-carboxylate

Catalog ID
STK806843
SMILES CCOC(=O)N1CCN(CC1)C(=O)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

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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 C22H23N3O5 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5/c1-2-30-22(29)24-13-11-23(12-14-24)18(26)9-10-25-20(27)16-7-3-5-15-6-4-8-17(19(15)16)21(25)28/h3-8H,2,9-14H2,1H3
InChIKey
MNRDYPUGXWLGTG-UHFFFAOYSA-N
Synonyms
326907-79-3
326907793
CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
ethyl4(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propanoyl)piperazine1carboxylate
ETHYL4(3(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PROPANOYL)PIPERAZINE1CARBOXYLATE
InChI=1SC22H23N3O5c123022(29)24131123(121424)18(26)9102520(27)167351564817(19(15)16)21(25)28h38H2914H21H3
MFCD02658813
ZINC000004194749
ZINC04194749
ZINC4194749

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Available files

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