Vitas-M small molecule compound
methyl 6-(azepan-1-ylmethyl)-4-(2,4-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL435863
SMILES COC(=O)C1=C(CN2CCCCCC2)NC(=O)NC1c1ccc(cc1C)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 C21H29N3O3 MW 371.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O3/c1-14-8-9-16(15(2)12-14)19-18(20(25)27-3)17(22-21(26)23-19)13-24-10-6-4-5-7-11-24/h8-9,12,19H,4-7,10-11,13H2,1-3H3,(H2,22,23,26)InChIKey
NMGCVODKOQPPQF-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C2C(=C(NC(=O)N2)CN3CCCCCC3)C(=O)OC)C
InChI=1SC21H29N3O3c1148916(15(2)1214)1918(20(25)273)17(2221(26)2319)13241064571124h891219H47101113H213H3(H2222326)
METHYL4(AZAPERHYDROEPINYLMETHYL)6(24DIMETHYLPHENYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
methyl6(azepan1ylmethyl)4(24dimethylphenyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl6(azepan1ylmethyl)4(24dimethylphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
MFCD07048838
ZINC000020518259
ZINC000020518261
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