Vitas-M small molecule compound

4-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1-(2-oxo-2-phenylethyl)-1H-1,2,4-triazol-4-ium

Catalog ID
STK056683
SMILES Clc1ccc(c(c1)Cl)C(=O)C[n+]1cnn(c1)CC(=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 C18H14Cl2N3O2 MW 375.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14Cl2N3O2/c19-14-6-7-15(16(20)8-14)18(25)9-22-11-21-23(12-22)10-17(24)13-4-2-1-3-5-13/h1-8,11-12H,9-10H2/q+1
InChIKey
OQDYAXFQESCNIR-UHFFFAOYSA-N
Synonyms

2(4(2(24DICHLOROPHENYL)2OXOETHYL)124TRIAZOL4IUM1YL)1PHENYLETHANONE
4(2(24DICHLOROPHENYL)2OXOETHYL)1(2OXO2PHENYLETHYL)1H124TRIAZOL4IUM
4(2(24dichlorophenyl)2oxoethyl)1(2oxo2phenylethyl)1H124triazol4iumbromide
C1=CC=C(C=C1)C(=O)CN2C=(N+)(C=N2)CC(=O)C3=C(C=C(C=C3)Cl)Cl
Clc1ccc(c(c1)Cl)C(=O)C(n+)1cnn(c1)CC(=O)c1ccccc1
Clc1ccc(c(c1)Cl)C(=O)C(n+)1cnn(c1)CC(=O)c1ccccc1(Br)
InChI=1SC18H14Cl2N3O2c19146715(16(20)814)18(25)922112123(1222)1017(24)134213513h181112H910H2q+1
MFCD01067785
STK056683
ZINC000001775020
ZINC01775020
ZINC1775020

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.