Vitas-M small molecule compound

5-ethyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid

Catalog ID
STL139235
SMILES CCc1c(nnn1c1ccc(cc1)C)C(=O)O

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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 C12H13N3O2 MW 231.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O2/c1-3-10-11(12(16)17)13-14-15(10)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,16,17)
InChIKey
UGVGSLCAEZQSHE-UHFFFAOYSA-N
Synonyms
1017399-25-5
1017399255
5ethyl1(4methylphenyl)1H123triazole4carboxylicacid
5ethyl1(4methylphenyl)triazole4carboxylicacid
CCC1=C(N=NN1C2=CC=C(C=C2)C)C(=O)O
InChI=1SC12H13N3O2c131011(12(16)17)131415(10)9648(2)579h47H3H212H3(H1617)
MFCD10003289
ZINC000011888129
ZINC11888129

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Available files

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