Vitas-M small molecule compound
ethyl 7-(3-nitrophenyl)-5-propyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK210481
SMILES CCOC(=O)C1=C(CCC)Nc2n(C1c1cccc(c1)[N+](=O)[O-])ncn2
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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 C17H19N5O4 MW 357.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O4/c1-3-6-13-14(16(23)26-4-2)15(21-17(20-13)18-10-19-21)11-7-5-8-12(9-11)22(24)25/h5,7-10,15H,3-4,6H2,1-2H3,(H,18,19,20)InChIKey
PYNMSDZSXQLGKT-UHFFFAOYSA-NSynonyms
727406-45-3727406453
CCCC1=C(C(N2C(=N1)N=CN2)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OCC
CCOC(=O)C1=C(CCC)Nc2n(C1c1cccc(c1)(N+)(=O)(O))ncn2
ETHYL7(3NITROPHENYL)5PROPYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(3NITROPHENYL)5PROPYL478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ethyl7(3nitrophenyl)5propyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
InChI=1SC17H19N5O4c1361314(16(23)2642)15(2117(2013)18101921)1175812(911)22(24)25h571015H346H212H3(H181920)
MFCD06193529
ZINC000004777015
ZINC000004777016
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