Vitas-M small molecule compound

methyl (1-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbonyl}piperidin-4-yl)acetate

Catalog ID
STL244330
SMILES COC(=O)CC1CCN(CC1)C(=O)c1cn(CC(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 C22H28N2O4 MW 384.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4/c1-15(2)13-24-14-19(17-6-4-5-7-18(17)21(24)26)22(27)23-10-8-16(9-11-23)12-20(25)28-3/h4-7,14-16H,8-13H2,1-3H3
InChIKey
IZUPSGGFJOUYCP-UHFFFAOYSA-N
Synonyms
1401595-96-7
1401595967
CC(C)CN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCC(CC3)CC(=O)OC
InChI=1SC22H28N2O4c115(2)13241419(17645718(17)21(24)26)22(27)2310816(91123)1220(25)283h471416H813H213H3
methyl(1((2(2methylpropyl)1oxo12dihydroisoquinolin4yl)carbonyl)piperidin4yl)acetate
methyl2(1(2(2methylpropyl)1oxoisoquinoline4carbonyl)piperidin4yl)acetate
methyl2(1(2isobutyl1oxo12dihydroisoquinoline4carbonyl)piperidin4yl)acetate
MFCD22583844
ZINC000079484468
ZINC79484468

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Available files

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