Vitas-M small molecule compound

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

Catalog ID
STK775365
SMILES CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)NC1c1cc(C)ccc1C

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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 C23H26ClN3O3 MW 427.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN3O3/c1-4-30-22(28)20-19(13-25-12-16-7-5-6-8-18(16)24)26-23(29)27-21(20)17-11-14(2)9-10-15(17)3/h5-11,21,25H,4,12-13H2,1-3H3,(H2,26,27,29)
InChIKey
BDAJASCCKRYGIS-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CNCC3=CC=CC=C3Cl
ethyl6(((2chlorobenzyl)amino)methyl)4(25dimethylphenyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL6(((2CHLOROPHENYL)METHYLAMINO)METHYL)4(25DIMETHYLPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC23H26ClN3O3c143022(28)2019(13251216756818(16)24)2623(29)2721(20)171114(2)91015(17)3h5112125H41213H213H3(H2262729)
MFCD05257203
ZINC000012412515
ZINC000012412517

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Available files

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