Vitas-M small molecule compound
(4E)-2-(4-bromophenyl)-5-methyl-4-[(4H-1,2,4-triazol-4-ylamino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295827
SMILES Brc1ccc(cc1)N1N=C(/C(=C\Nn2cnnc2)/C1=O)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 C13H11BrN6O MW 347.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11BrN6O/c1-9-12(6-17-19-7-15-16-8-19)13(21)20(18-9)11-4-2-10(14)3-5-11/h2-8,17H,1H3/b12-6+InChIKey
QEXGGAIRXFFCKV-WUXMJOGZSA-NSynonyms
(4E)2(4bromophenyl)5methyl4((124triazol4ylamino)methylidene)pyrazol3one
(4E)2(4bromophenyl)5methyl4((4H124triazol4ylamino)methylidene)24dihydro3Hpyrazol3one
Brc1ccc(cc1)N1N=C(C(=CNn2cnnc2)C1=O)C
CC1=NN(C(=O)C1=CNN2C=NN=C2)C3=CC=C(C=C3)Br
InChI=1SC13H11BrN6Oc1912(6171971516819)13(21)20(189)114210(14)3511h2817H1H3b126+
MFCD28033169
ZINC000101129475
ZINC101129475
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