Vitas-M small molecule compound

ethyl 6-{[benzyl(ethyl)amino]methyl}-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL028014
SMILES CCOC(=O)C1=C(NC(=O)NC1c1ccccc1OCC)CN(Cc1ccccc1)CC

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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 C25H31N3O4 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O4/c1-4-28(16-18-12-8-7-9-13-18)17-20-22(24(29)32-6-3)23(27-25(30)26-20)19-14-10-11-15-21(19)31-5-2/h7-15,23H,4-6,16-17H2,1-3H3,(H2,26,27,30)
InChIKey
BSFGRBIGRAWGFN-UHFFFAOYSA-N
Synonyms

CCN(CC1=CC=CC=C1)CC2=C(C(NC(=O)N2)C3=CC=CC=C3OCC)C(=O)OCC
ethyl6((benzyl(ethyl)amino)methyl)4(2ethoxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((benzyl(ethyl)amino)methyl)4(2ethoxyphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC25H31N3O4c1428(1618128791318)172022(24(29)3263)23(2725(30)2620)191410111521(19)3152h71523H461617H213H3(H2262730)
MFCD18188605
ZINC000057415805
ZINC000057415808

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Available files

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