Vitas-M small molecule compound

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

Catalog ID
STL266304
SMILES Fc1ccc(cc1)NCc1nnc2n1CCCCC2

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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 C14H17FN4 MW 260.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17FN4/c15-11-5-7-12(8-6-11)16-10-14-18-17-13-4-2-1-3-9-19(13)14/h5-8,16H,1-4,9-10H2
InChIKey
LAGREOKOUPDZHT-UHFFFAOYSA-N
Synonyms

4fluoroN(6789tetrahydro5H(124)triazolo(43a)azepin3ylmethyl)aniline
C1CCC2=NN=C(N2CC1)CNC3=CC=C(C=C3)F
InChI=1SC14H17FN4c15115712(8611)1610141817134213919(13)14h5816H14910H2
MFCD02708042
ZINC000003881049
ZINC03881049
ZINC3881049

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Available files

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