Vitas-M small molecule compound
1,4-bis[2-(2,4-dichlorophenyl)-2-oxoethyl]-3,5-dimethyl-1H-1,2,4-triazol-4-ium
Catalog ID
STL058936
SMILES Clc1ccc(c(c1)Cl)C(=O)Cn1nc([n+](c1C)CC(=O)c1ccc(cc1Cl)Cl)C
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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 C20H16Cl4N3O2 MW 472.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Cl4N3O2/c1-11-25-27(10-20(29)16-6-4-14(22)8-18(16)24)12(2)26(11)9-19(28)15-5-3-13(21)7-17(15)23/h3-8H,9-10H2,1-2H3/q+1InChIKey
VSTNXNQXGVEVLF-UHFFFAOYSA-NSynonyms
1(24DICHLOROPHENYL)2(4(2(24DICHLOROPHENYL)2OXOETHYL)35DIMETHYL124TRIAZOL4IUM1YL)ETHANONE
14bis(2(24dichlorophenyl)2oxoethyl)35dimethyl1H124triazol4ium
14bis(2(24dichlorophenyl)2oxoethyl)35dimethyl1H124triazol4iumbromide
CC1=NN(C(=(N+)1CC(=O)C2=C(C=C(C=C2)Cl)Cl)C)CC(=O)C3=C(C=C(C=C3)Cl)Cl
Clc1ccc(c(c1)Cl)C(=O)Cn1nc((n+)(c1C)CC(=O)c1ccc(cc1Cl)Cl)C
Clc1ccc(c(c1)Cl)C(=O)Cn1nc((n+)(c1C)CC(=O)c1ccc(cc1Cl)Cl)C(Br)
InChI=1SC20H16Cl4N3O2c1112527(1020(29)166414(22)818(16)24)12(2)26(11)919(28)155313(21)717(15)23h38H910H212H3q+1
ZINC000001831071
ZINC01831071
ZINC1831071
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