Vitas-M small molecule compound
2-methylpentyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK371352
SMILES CCCC(COC(=O)C1=C(C)NC(=O)NC1c1ccc(c(c1)[N+](=O)[O-])O)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 C18H23N3O6 MW 377.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3O6/c1-4-5-10(2)9-27-17(23)15-11(3)19-18(24)20-16(15)12-6-7-14(22)13(8-12)21(25)26/h6-8,10,16,22H,4-5,9H2,1-3H3,(H2,19,20,24)InChIKey
RKFOOAFLMNNZEV-UHFFFAOYSA-NSynonyms
2methylpentyl4(4hydroxy3nitrophenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
2METHYLPENTYL4(4HYDROXY3NITROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2METHYLPENTYL6(4HYDROXY3NITROPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CCCC(C)COC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)(N+)(=O)(O))C
CCCC(COC(=O)C1=C(C)NC(=O)NC1c1ccc(c(c1)(N+)(=O)(O))O)C
InChI=1SC18H23N3O6c14510(2)92717(23)1511(3)1918(24)2016(15)126714(22)13(812)21(25)26h68101622H459H213H3(H2192024)
MFCD00355318
ZINC000036035471
ZINC000036035474
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