Vitas-M small molecule compound

2-bromo-7,8-dihydro[1,2,4]triazolo[5,1-b][1,5,3]dioxazepine

Catalog ID
STL426000
SMILES Brc1nn2c(n1)OCCOC2

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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 C5H6BrN3O2 MW 220.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C5H6BrN3O2/c6-4-7-5-9(8-4)3-10-1-2-11-5/h1-3H2
InChIKey
LFFIKQVUNBYGBA-UHFFFAOYSA-N
Synonyms
1674390-11-4
1674390114
2bromo78dihydro(124)triazolo(51b)(153)dioxazepine
2bromo78dihydro5H(124)triazolo(51b)(153)dioxazepine
C1COC2=NC(=NN2CO1)Br
InChI=1SC5H6BrN3O2c64759(84)31012115h13H2
MFCD28400932
ZINC000217041890
ZINC217041890

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Available files

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