Vitas-M small molecule compound

methyl N-{[1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinolin-4-yl]carbonyl}-beta-alaninate

Catalog ID
STL425461
SMILES COC(=O)CCNC(=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 C17H20N2O4 MW 316.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O4/c1-11(2)19-10-14(16(21)18-9-8-15(20)23-3)12-6-4-5-7-13(12)17(19)22/h4-7,10-11H,8-9H2,1-3H3,(H,18,21)
InChIKey
BWFVQVHPEPMMTH-UHFFFAOYSA-N
Synonyms
1630827-44-9
1630827449
CC(C)N1C=C(C2=CC=CC=C2C1=O)C(=O)NCCC(=O)OC
InChI=1SC17H20N2O4c111(2)191014(16(21)189815(20)233)12645713(12)17(19)22h471011H89H213H3(H1821)
methyl3((1oxo2propan2ylisoquinoline4carbonyl)amino)propanoate
methyl3(2isopropyl1oxo12dihydroisoquinoline4carboxamido)propanoate
methylN((1oxo2(propan2yl)12dihydroisoquinolin4yl)carbonyl)betaalaninate
MFCD28366638
ZINC000218128275
ZINC218128275

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Available files

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