Vitas-M small molecule compound
4-acetyl-3-(2-oxopropyl)-1-phenyl-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL448391
SMILES CC(=O)C[n+]1nn(c(c1C(=O)C)[O-])c1ccccc1
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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 C13H13N3O3 MW 259.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O3/c1-9(17)8-15-12(10(2)18)13(19)16(14-15)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3InChIKey
VPWZGUNAFAOPJO-UHFFFAOYSA-NSynonyms
(1E)1(5oxo3(2oxopropyl)1phenyltriazol3ium4ylidene)ethanolate
4acetyl3(2oxopropyl)1phenyl1H123triazol3ium5olate
5ACETYL1(2OXOPROPYL)3PHENYLTRIAZOL1IUM4OLATE
CC(=O)C(N+)1=NN(C(=O)C1=C(C)(O))C2=CC=CC=C2
CC(=O)C(n+)1nn(c(c1C(=O)C)(O))c1ccccc1
InChI=1SC13H13N3O3c19(17)81512(10(2)18)13(19)16(1415)116435711h37H8H212H3
MFCD07773844
ZINC000005274781
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