Vitas-M small molecule compound
4-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1-ethyl-1H-1,2,4-triazol-4-ium
Catalog ID
STL058915
SMILES CCn1nc[n+](c1)CC(=O)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 C12H12Cl2N3O MW 285.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12Cl2N3O/c1-2-17-8-16(7-15-17)6-12(18)10-4-3-9(13)5-11(10)14/h3-5,7-8H,2,6H2,1H3/q+1InChIKey
MNWPZGMAKSSWQL-UHFFFAOYSA-NSynonyms
1(24DICHLOROPHENYL)2(1ETHYL124TRIAZOL4IUM4YL)ETHANONE
4(2(24dichlorophenyl)2oxoethyl)1ethyl1H124triazol4ium
4(2(24dichlorophenyl)2oxoethyl)1ethyl1H124triazol4iumbromide
CCN1C=(N+)(C=N1)CC(=O)C2=C(C=C(C=C2)Cl)Cl
CCn1nc(n+)(c1)CC(=O)c1ccc(cc1Cl)Cl
CCn1nc(n+)(c1)CC(=O)c1ccc(cc1Cl)Cl(Br)
InChI=1SC12H12Cl2N3Oc1217816(71517)612(18)10439(13)511(10)14h3578H26H21H3q+1
ZINC000001839548
ZINC01839548
ZINC1839548
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