Vitas-M small molecule compound
butan-2-yl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK065223
SMILES CCC(OC(=O)C1=C(C)NC(=O)NC1c1cc(OC)c(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 C17H21N3O7 MW 379.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O7/c1-5-8(2)27-16(22)13-9(3)18-17(23)19-14(13)10-6-11(20(24)25)15(21)12(7-10)26-4/h6-8,14,21H,5H2,1-4H3,(H2,18,19,23)InChIKey
PQKSKKAGSZGNSW-UHFFFAOYSA-NSynonyms
butan2yl4(4hydroxy3methoxy5nitrophenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
BUTAN2YL4(4HYDROXY3METHOXY5NITROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
CCC(C)OC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)OC)O)(N+)(=O)(O))C
CCC(OC(=O)C1=C(C)NC(=O)NC1c1cc(OC)c(c(c1)(N+)(=O)(O))O)C
InChI=1SC17H21N3O7c158(2)2716(22)139(3)1817(23)1914(13)10611(20(24)25)15(21)12(710)264h681421H5H214H3(H2181923)
METHYLPROPYL6(4HYDROXY3METHOXY5NITROPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
MFCD02188629
STK065223
ZINC000035817440
ZINC000035817450
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