Vitas-M small molecule compound
1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-4-ethyl-1H-1,2,4-triazol-4-ium
Catalog ID
STK076950
SMILES CCCC1COC(O1)(Cn1nc[n+](c1)CC)c1ccc(cc1Cl)Cl
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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 C17H22Cl2N3O2 MW 371.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22Cl2N3O2/c1-3-5-14-9-23-17(24-14,10-22-12-21(4-2)11-20-22)15-7-6-13(18)8-16(15)19/h6-8,11-12,14H,3-5,9-10H2,1-2H3/q+1InChIKey
ZMIUUEUCMUEWIG-UHFFFAOYSA-NSynonyms
1((2(24DICHLOROPHENYL)4PROPYL13DIOXOLAN2YL)METHYL)4ETHYL124TRIAZOL4IUM
1((2(24DICHLOROPHENYL)4PROPYL13DIOXOLAN2YL)METHYL)4ETHYL1H124TRIAZOL4IUM
1((2(24dichlorophenyl)4propyl13dioxolan2yl)methyl)4ethyl1H124triazol4iumbromide
CCCC1COC(O1)(Cn1nc(n+)(c1)CC)c1ccc(cc1Cl)Cl
CCCC1COC(O1)(Cn1nc(n+)(c1)CC)c1ccc(cc1Cl)Cl(Br)
CCCC1COC(O1)(CN2C=(N+)(C=N2)CC)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC17H22Cl2N3O2c1351492317(241410221221(42)112022)157613(18)816(15)19h68111214H35910H212H3q+1
MFCD01067803
STK076950
ZINC000000896410
ZINC000000896418
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