Vitas-M small molecule compound
1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-(prop-2-en-1-yl)-1H-1,2,4-triazol-4-ium
Catalog ID
STK070777
SMILES C=CC[n+]1cnn(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 C13H12Cl2N3O MW 297.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12Cl2N3O/c1-2-5-17-8-16-18(9-17)7-13(19)11-4-3-10(14)6-12(11)15/h2-4,6,8-9H,1,5,7H2/q+1InChIKey
RGFGKBXPOFNLSX-UHFFFAOYSA-NSynonyms
1(2(24DICHLOROPHENYL)2OXOETHYL)4(PROP2EN1YL)1H124TRIAZOL4IUM
1(24DICHLOROPHENYL)2(4PROP2ENYL124TRIAZOL4IUM1YL)ETHANONE
4allyl1(2(24dichlorophenyl)2oxoethyl)1H124triazol4iumbromide
C=CC(N+)1=CN(N=C1)CC(=O)C2=C(C=C(C=C2)Cl)Cl
C=CC(n+)1cnn(c1)CC(=O)c1ccc(cc1Cl)Cl
C=CC(n+)1cnn(c1)CC(=O)c1ccc(cc1Cl)Cl(Br)
InChI=1SC13H12Cl2N3Oc1251781618(917)713(19)114310(14)612(11)15h24689H157H2q+1
MFCD01067797
STK070777
ZINC000000495127
ZINC00495127
ZINC495127
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