Vitas-M small molecule compound

methyl 2-(5-bromo-1H-1,2,4-triazol-3-yl)benzoate

Catalog ID
STL433333
SMILES COC(=O)c1ccccc1c1n[nH]c(n1)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 C10H8BrN3O2 MW 282.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H8BrN3O2/c1-16-9(15)7-5-3-2-4-6(7)8-12-10(11)14-13-8/h2-5H,1H3,(H,12,13,14)
InChIKey
URQZPTGFXJLQEU-UHFFFAOYSA-N
Synonyms
1384895-49-1
1384895491
COC(=O)C1=CC=CC=C1C2=NNC(=N2)Br
COC(=O)c1ccccc1c1n(nH)c(n1)Br
InChI=1SC10H8BrN3O2c1169(15)753246(7)81210(11)14138h25H1H3(H121314)
methyl2(5bromo1H124triazol3yl)benzoate
MFCD24540260
ZINC000078496434
ZINC78496434

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Available files

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