Vitas-M small molecule compound

2-ethoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline

Catalog ID
STL268294
SMILES CCOc1ccccc1NCc1nnc2n1CCCCC2

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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 C16H22N4O MW 286.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N4O/c1-2-21-14-9-6-5-8-13(14)17-12-16-19-18-15-10-4-3-7-11-20(15)16/h5-6,8-9,17H,2-4,7,10-12H2,1H3
InChIKey
QGQTXESMVYIPAK-UHFFFAOYSA-N
Synonyms

2ethoxyN(6789tetrahydro5H(124)triazolo(43a)azepin3ylmethyl)aniline
CCOC1=CC=CC=C1NCC2=NN=C3N2CCCCC3
InChI=1SC16H22N4Oc122114965813(14)171216191815104371120(15)16h568917H2471012H21H3
MFCD06737933
ZINC000004303638
ZINC04303638
ZINC4303638

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Available files

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