Vitas-M small molecule compound

ethyl [5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetate

Catalog ID
STK785026
SMILES CCOC(=O)Cc1nnc([nH]1)c1ccc(cc1)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 C12H12ClN3O2 MW 265.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12ClN3O2/c1-2-18-11(17)7-10-14-12(16-15-10)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,15,16)
InChIKey
PAFGUSGWIQASIP-UHFFFAOYSA-N
Synonyms
168639-16-5
(5(4CHLOROPHENYL)2H(124)TRIAZOL3YL)ACETICACIDETHYLESTER
168639165
CCOC(=O)CC1=NC(=NN1)C2=CC=C(C=C2)Cl
CCOC(=O)Cc1nnc((nH)1)c1ccc(cc1)Cl
ethyl(5(4chlorophenyl)4H124triazol3yl)acetate
ETHYL2(3(4CHLOROPHENYL)1H124TRIAZOL5YL)ACETATE
ETHYL2(5(4CHLOROPHENYL)4H124TRIAZOL3YL)ACETATE
InChI=1SC12H12ClN3O2c121811(17)7101412(161510)8359(13)648h36H27H21H3(H141516)
MFCD00221599
ZINC000013545340
ZINC13545340

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Available files

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