Vitas-M small molecule compound
2-methoxyethyl 2,5-dimethyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK217668
SMILES COCCOC(=O)C1=C(C)Nc2n(C1c1cccc(c1)[N+](=O)[O-])nc(n2)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 C17H19N5O5 MW 373.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O5/c1-10-14(16(23)27-8-7-26-3)15(21-17(18-10)19-11(2)20-21)12-5-4-6-13(9-12)22(24)25/h4-6,9,15H,7-8H2,1-3H3,(H,18,19,20)InChIKey
QCHKLVIUCAPXME-UHFFFAOYSA-NSynonyms
2METHOXYETHYL25DIMETHYL7(3NITROPHENYL)17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
2methoxyethyl25dimethyl7(3nitrophenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxylate
CC1=C(C(N2C(=N1)N=C(N2)C)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OCCOC
COCCOC(=O)C1=C(C)Nc2n(C1c1cccc(c1)(N+)(=O)(O))nc(n2)C
InChI=1SC17H19N5O5c11014(16(23)2787263)15(2117(1810)1911(2)2021)1254613(912)22(24)25h46915H78H213H3(H181920)
MFCD06596658
ZINC000004814199
ZINC000004814200
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