Vitas-M small molecule compound
butan-2-yl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK068919
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1NC(=O)NC(=C1C(=O)OC(CC)C)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 C18H23N3O7 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3O7/c1-5-9(3)28-17(23)14-10(4)19-18(24)20-15(14)11-7-12(21(25)26)16(22)13(8-11)27-6-2/h7-9,15,22H,5-6H2,1-4H3,(H2,19,20,24)InChIKey
JUVHKUXXJAYFMB-UHFFFAOYSA-NSynonyms
butan2yl4(3ethoxy4hydroxy5nitrophenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
BUTAN2YL4(3ETHOXY4HYDROXY5NITROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
CCC(C)OC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)OCC)O)(N+)(=O)(O))C
CCOc1cc(cc(c1O)(N+)(=O)(O))C1NC(=O)NC(=C1C(=O)OC(CC)C)C
InChI=1SC18H23N3O7c159(3)2817(23)1410(4)1918(24)2015(14)11712(21(25)26)16(22)13(811)2762h791522H56H214H3(H2192024)
METHYLPROPYL6(5ETHOXY4HYDROXY3NITROPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
MFCD02105421
STK068919
ZINC000035812708
ZINC000035812715
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