Vitas-M small molecule compound

3-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)amino]-2-benzofuran-1(3H)-one

Catalog ID
STK898074
SMILES O=C1OC(c2c1cccc2)Nn1c(C)nnc1C

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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 C12H12N4O2 MW 244.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N4O2/c1-7-13-14-8(2)16(7)15-11-9-5-3-4-6-10(9)12(17)18-11/h3-6,11,15H,1-2H3
InChIKey
JKUXVNBMGLJBHA-UHFFFAOYSA-N
Synonyms

3((35DIMETHYL124TRIAZOL4YL)AMINO)3H2BENZOFURAN1ONE
3((35dimethyl4H124triazol4yl)amino)2benzofuran1(3H)one
CC1=NN=C(N1NC2C3=CC=CC=C3C(=O)O2)C
InChI=1SC12H12N4O2c1713148(2)16(7)15119534610(9)12(17)1811h361115H12H3
MFCD07360786
ZINC000004857743
ZINC000004857745

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Available files

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