Vitas-M small molecule compound
propan-2-yl 1-ethyl-6-methyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK363412
SMILES CCN1C(=O)NC(C(=C1C)C(=O)OC(C)C)c1ccccc1[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 C17H21N3O5 MW 347.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O5/c1-5-19-11(4)14(16(21)25-10(2)3)15(18-17(19)22)12-8-6-7-9-13(12)20(23)24/h6-10,15H,5H2,1-4H3,(H,18,22)InChIKey
YUDHIQXOPLGYIV-UHFFFAOYSA-NSynonyms
CCN1C(=C(C(NC1=O)C2=CC=CC=C2(N+)(=O)(O))C(=O)OC(C)C)C
CCN1C(=O)NC(C(=C1C)C(=O)OC(C)C)c1ccccc1(N+)(=O)(O)
InChI=1SC17H21N3O5c151911(4)14(16(21)2510(2)3)15(1817(19)22)12867913(12)20(23)24h61015H5H214H3(H1822)
METHYLETHYL3ETHYL4METHYL6(2NITROPHENYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
MFCD00723746
propan2yl1ethyl6methyl4(2nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
PROPAN2YL3ETHYL4METHYL6(2NITROPHENYL)2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
ZINC000000126736
ZINC000000126738
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