Vitas-M small molecule compound

methyl 2-({[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetyl}amino)benzoate

Catalog ID
STL080089
SMILES COC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(nc1N1CCc2c(C1)cccc2)C

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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 C24H24N4O4 MW 432.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O4/c1-16-13-22(30)28(15-21(29)26-20-10-6-5-9-19(20)23(31)32-2)24(25-16)27-12-11-17-7-3-4-8-18(17)14-27/h3-10,13H,11-12,14-15H2,1-2H3,(H,26,29)
InChIKey
ULEHQQWEVQBVFQ-UHFFFAOYSA-N
Synonyms

CC1=CC(=O)N(C(=N1)N2CCC3=CC=CC=C3C2)CC(=O)NC4=CC=CC=C4C(=O)OC
InChI=1SC24H24N4O4c1161322(30)28(1521(29)26201065919(20)23(31)322)24(2516)27121117734818(17)1427h31013H11121415H212H3(H2629)
methyl2(((2(34dihydroisoquinolin2(1H)yl)4methyl6oxopyrimidin1(6H)yl)acetyl)amino)benzoate
methyl2((2(2(34dihydro1Hisoquinolin2yl)4methyl6oxopyrimidin1yl)acetyl)amino)benzoate
MFCD18200855
ZINC000057506482
ZINC57506482

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Available files

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