Vitas-M small molecule compound

ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

Catalog ID
STK764140
SMILES CCOC(=O)c1nnn(c1C)c1ccc(cc1)Br

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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 C12H12BrN3O2 MW 310.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12BrN3O2/c1-3-18-12(17)11-8(2)16(15-14-11)10-6-4-9(13)5-7-10/h4-7H,3H2,1-2H3
InChIKey
XINJEGKIOUNNCJ-UHFFFAOYSA-N
Synonyms
361990-21-8
1H(123)TRIAZOLE4CARBOXYLICACID1(4BROMOPHENYL)5METHYLETHYLESTER
361990218
CCOC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)Br)C
ETHYL1(4BROMOPHENYL)5METHYL123TRIAZOLE4CARBOXYLATE
ethyl1(4bromophenyl)5methyl1H123triazole4carboxylate
ETHYL1(4BROMOPHENYL)5METHYLTRIAZOLE4CARBOXYLATE
InChI=1SC12H12BrN3O2c131812(17)118(2)16(151411)10649(13)5710h47H3H212H3
MFCD02648454
ZINC000000128706
ZINC00128706
ZINC128706

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Available files

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