Vitas-M small molecule compound
pentyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK375267
SMILES CCCCCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(cc1)[N+](=O)[O-]
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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 C18H23N3O5 MW 361.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3O5/c1-4-5-6-11-26-17(22)15-12(2)20(3)18(23)19-16(15)13-7-9-14(10-8-13)21(24)25/h7-10,16H,4-6,11H2,1-3H3,(H,19,23)InChIKey
NRKBEZCCKWVBJV-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(cc1)(N+)(=O)(O)
CCCCCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)(N+)(=O)(O))C)C
InChI=1SC18H23N3O5c1456112617(22)1512(2)20(3)18(23)1916(15)137914(10813)21(24)25h71016H4611H213H3(H1923)
MFCD01133759
pentyl16dimethyl4(4nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
PENTYL34DIMETHYL6(4NITROPHENYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
PENTYL34DIMETHYL6(4NITROPHENYL)2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
ZINC000002059291
ZINC000002059292
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