Vitas-M small molecule compound
1-benzyl-4-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
Catalog ID
STK094459
SMILES Clc1ccc(c(c1)Cl)C(=O)C[n+]1cnn(c1)Cc1ccccc1
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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 C17H14Cl2N3O MW 347.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14Cl2N3O/c18-14-6-7-15(16(19)8-14)17(23)10-21-11-20-22(12-21)9-13-4-2-1-3-5-13/h1-8,11-12H,9-10H2/q+1InChIKey
NDQHYPZCTBFERE-UHFFFAOYSA-NSynonyms
1BENZYL4(2(24DICHLOROPHENYL)2OXOETHYL)1H124TRIAZOL4IUM
1benzyl4(2(24dichlorophenyl)2oxoethyl)1H124triazol4iumbromide
2(1BENZYL124TRIAZOL4IUM4YL)1(24DICHLOROPHENYL)ETHANONE
C1=CC=C(C=C1)CN2C=(N+)(C=N2)CC(=O)C3=C(C=C(C=C3)Cl)Cl
Clc1ccc(c(c1)Cl)C(=O)C(n+)1cnn(c1)Cc1ccccc1
Clc1ccc(c(c1)Cl)C(=O)C(n+)1cnn(c1)Cc1ccccc1(Br)
InChI=1SC17H14Cl2N3Oc18146715(16(19)814)17(23)1021112022(1221)9134213513h181112H910H2q+1
MFCD01067792
STK094459
ZINC000001796891
ZINC01796891
ZINC1796891
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