Vitas-M small molecule compound
3-(3-ethoxy-3-oxopropyl)-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL448366
SMILES CCOC(=O)CC[n+]1nn(c(c1C(=O)Nc1ccccc1)[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 C20H20N4O4 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4/c1-2-28-17(25)13-14-23-18(19(26)21-15-9-5-3-6-10-15)20(27)24(22-23)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H-,21,22,26,27)InChIKey
OYEIKACJDFVSFI-UHFFFAOYSA-NSynonyms
1(3ETHOXY3OXOPROPYL)3PHENYL5(PHENYLCARBAMOYL)TRIAZOL1IUM4OLATE
3(3ethoxy3oxopropyl)1phenyl4(phenylcarbamoyl)1H123triazol3ium5olate
4(ANILINOCARBONYL)3(3ETHOXY3OXOPROPYL)1PHENYL1H123TRIAZOL3IUM5OLATE
CCOC(=O)CC(N+)1=NN(C(=C1C(=O)NC2=CC=CC=C2)(O))C3=CC=CC=C3
CCOC(=O)CC(n+)1nn(c(c1C(=O)Nc1ccccc1)(O))c1ccccc1
InChI=1SC20H20N4O4c122817(25)13142318(19(26)211595361015)20(27)24(2223)16117481216h312H21314H21H3(H21222627)
MFCD07773819
ZINC000005274762
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