Vitas-M small molecule compound

hexyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK363885
SMILES CCCCCCOC(=O)C1=C(C)NC(=O)NC1c1cccc(c1)[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/c1-3-4-5-6-10-26-17(22)15-12(2)19-18(23)20-16(15)13-8-7-9-14(11-13)21(24)25/h7-9,11,16H,3-6,10H2,1-2H3,(H2,19,20,23)
InChIKey
FJLAVJAYPHTQCR-UHFFFAOYSA-N
Synonyms

CCCCCCOC(=O)C1=C(C)NC(=O)NC1c1cccc(c1)(N+)(=O)(O)
CCCCCCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)(N+)(=O)(O))C
HEXYL4METHYL6(3NITROPHENYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
hexyl6methyl4(3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
HEXYL6METHYL4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC18H23N3O5c13456102617(22)1512(2)1918(23)2016(15)1387914(1113)21(24)25h791116H3610H212H3(H2192023)
MFCD00365561
ZINC000004064404
ZINC000004064406

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Available files

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