Vitas-M small molecule compound
1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-4-methyl-1H-1,2,4-triazol-4-ium
Catalog ID
STK094024
SMILES CCCC1COC(O1)(Cn1nc[n+](c1)C)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 C16H20Cl2N3O2 MW 357.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20Cl2N3O2/c1-3-4-13-8-22-16(23-13,9-21-11-20(2)10-19-21)14-6-5-12(17)7-15(14)18/h5-7,10-11,13H,3-4,8-9H2,1-2H3/q+1InChIKey
UKCDRVQVWFRNQZ-UHFFFAOYSA-NSynonyms
1((2(24DICHLOROPHENYL)4PROPYL13DIOXOLAN2YL)METHYL)4METHYL124TRIAZOL4IUM
1((2(24DICHLOROPHENYL)4PROPYL13DIOXOLAN2YL)METHYL)4METHYL1H124TRIAZOL4IUM
1((2(24dichlorophenyl)4propyl13dioxolan2yl)methyl)4methyl1H124triazol4iumiodide
CCCC1COC(O1)(Cn1nc(n+)(c1)C)c1ccc(cc1Cl)Cl
CCCC1COC(O1)(Cn1nc(n+)(c1)C)c1ccc(cc1Cl)Cl(I)
CCCC1COC(O1)(CN2C=(N+)(C=N2)C)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC16H20Cl2N3O2c1341382216(23139211120(2)101921)146512(17)715(14)18h57101113H3489H212H3q+1
MFCD01067804
STK094024
ZINC000000896422
ZINC000004675546
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