Vitas-M small molecule compound

8-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-4H-1,3-benzodioxine-6-carboxylic acid

Catalog ID
STK540391
SMILES OC(=O)c1cc(/C=N/n2cnnc2)c2c(c1)COCO2

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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 C12H10N4O4 MW 274.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10N4O4/c17-12(18)8-1-9(3-15-16-5-13-14-6-16)11-10(2-8)4-19-7-20-11/h1-3,5-6H,4,7H2,(H,17,18)/b15-3+
InChIKey
IEWXBLFEUVBZOE-CRKCGEKBSA-N
Synonyms
329060-39-1
(E)8(((4H124triazol4yl)imino)methyl)4Hbenzo(d)(13)dioxine6carboxylicacid
329060391
8((1E)2(124TRIAZOL4YL)2AZAVINYL)2H4HBENZO(D)13DIOXANE6CARBOXYLICACID
8((E)(4H124triazol4ylimino)methyl)4H13benzodioxine6carboxylicacid
8((E)124TRIAZOL4YLIMINOMETHYL)4H13BENZODIOXINE6CARBOXYLICACID
C1C2=CC(=CC(=C2OCO1)C=NN3C=NN=C3)C(=O)O
InChI=1SC12H10N4O4c1712(18)819(3151651314616)1110(28)41972011h1356H47H2(H1718)b153+
MFCD02063131
OC(=O)c1cc(C=Nn2cnnc2)c2c(c1)COCO2
ZINC000000178889
ZINC178887

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Available files

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