Vitas-M small molecule compound

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

Catalog ID
STL490917
SMILES CN1CCCN(CC1)c1[nH]nc(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 C8H14BrN5 MW 260.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H14BrN5/c1-13-3-2-4-14(6-5-13)8-10-7(9)11-12-8/h2-6H2,1H3,(H,10,11,12)
InChIKey
UZUCUIYKKZLSPN-UHFFFAOYSA-N
Synonyms
2091290-13-8
1(3bromo1H124triazol5yl)4methyl14diazepane
1(3bromo1H124triazol5yl)4methyl14diazepanedihydrobromide
2091290138
CN1CCCN(CC1)c1(nH)nc(n1)Br
CN1CCCN(CC1)c1(nH)nc(n1)BrBrBr
MFCD30679124
ZINC000263584730

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Available files

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