Vitas-M small molecule compound

ethyl 4-{[1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinolin-4-yl]carbonyl}piperazine-1-carboxylate

Catalog ID
STL252017
SMILES CCOC(=O)N1CCN(CC1)C(=O)c1cn(C(C)C)c(=O)c2c1cccc2

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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 C20H25N3O4 MW 371.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O4/c1-4-27-20(26)22-11-9-21(10-12-22)18(24)17-13-23(14(2)3)19(25)16-8-6-5-7-15(16)17/h5-8,13-14H,4,9-12H2,1-3H3
InChIKey
LOCBZFTZQDHNOF-UHFFFAOYSA-N
Synonyms
1374538-59-6
1374538596
CCOC(=O)N1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C(C)C
ethyl4((1oxo2(propan2yl)12dihydroisoquinolin4yl)carbonyl)piperazine1carboxylate
ethyl4(1oxo2propan2ylisoquinoline4carbonyl)piperazine1carboxylate
ethyl4(2isopropyl1oxo12dihydroisoquinoline4carbonyl)piperazine1carboxylate
InChI=1SC20H25N3O4c142720(26)2211921(101222)18(24)171323(14(2)3)19(25)16865715(16)17h581314H4912H213H3
MFCD22203688
ZINC000072405266
ZINC72405266

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Available files

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