Vitas-M small molecule compound
butyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK914827
SMILES CCCCOC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)[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/c1-3-4-9-26-16(23)14-11(2)20-17-18-10-19-21(17)15(14)12-5-7-13(8-6-12)22(24)25/h5-8,10,15H,3-4,9H2,1-2H3,(H,18,19,20)InChIKey
XXRODLHIWLMQOX-UHFFFAOYSA-NSynonyms
butyl5methyl7(4nitrophenyl)17dihydro(124)triazolo(15a)pyrimidine6carboxylate
butyl5methyl7(4nitrophenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxylate
CCCCOC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)(N+)(=O)(O))ncn2
CCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=C(C=C3)(N+)(=O)(O))C
InChI=1SC17H19N5O4c13492616(23)1411(2)201718101921(17)15(14)125713(8612)22(24)25h581015H349H212H3(H181920)
MFCD14730011
ZINC000004598016
ZINC000004598017
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