Vitas-M small molecule compound

4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-yl)aniline

Catalog ID
STL275466
SMILES Nc1ccc(cc1)c1nc2n(n1)CCCCC2

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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 C13H16N4 MW 228.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4/c14-11-7-5-10(6-8-11)13-15-12-4-2-1-3-9-17(12)16-13/h5-8H,1-4,9,14H2
InChIKey
MJWDPGZSIHQYRR-UHFFFAOYSA-N
Synonyms

4(6789tetrahydro5H(124)triazolo(15a)azepin2yl)aniline
C1CCC2=NC(=NN2CC1)C3=CC=C(C=C3)N
InChI=1SC13H16N4c14117510(6811)1315124213917(12)1613h58H14914H2
MFCD24854148
ZINC000028047690
ZINC28047690

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Available files

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