Vitas-M small molecule compound

ethyl 6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL028016
SMILES CCOC(=O)C1=C(NC(=O)NC1c1ccccc1OCC)CN1CCc2c(C1)cccc2

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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 C25H29N3O4 MW 435.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O4/c1-3-31-21-12-8-7-11-19(21)23-22(24(29)32-4-2)20(26-25(30)27-23)16-28-14-13-17-9-5-6-10-18(17)15-28/h5-12,23H,3-4,13-16H2,1-2H3,(H2,26,27,30)
InChIKey
RBPLWNQUAHYSJK-UHFFFAOYSA-N
Synonyms

CCOC1=CC=CC=C1C2C(=C(NC(=O)N2)CN3CCC4=CC=CC=C4C3)C(=O)OCC
ethyl6(34dihydro1Hisoquinolin2ylmethyl)4(2ethoxyphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
ethyl6(34dihydroisoquinolin2(1H)ylmethyl)4(2ethoxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
InChI=1SC25H29N3O4c13312112871119(21)2322(24(29)3242)20(2625(30)2723)16281413179561018(17)1528h51223H341316H212H3(H2262730)
MFCD18188607
ZINC000057415815
ZINC000057415818

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Available files

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