Vitas-M small molecule compound

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

Catalog ID
STK687873
SMILES Cc1cccc(c1NCc1nnc2n1CCCCC2)C

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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 C16H22N4 MW 270.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N4/c1-12-7-6-8-13(2)16(12)17-11-15-19-18-14-9-4-3-5-10-20(14)15/h6-8,17H,3-5,9-11H2,1-2H3
InChIKey
CFNGTDIZJYQZKX-UHFFFAOYSA-N
Synonyms

26dimethylN(6789tetrahydro5H(124)triazolo(43a)azepin3ylmethyl)aniline
CC1=C(C(=CC=C1)C)NCC2=NN=C3N2CCCCC3
InChI=1SC16H22N4c11276813(2)16(12)17111519181494351020(14)15h6817H35911H212H3
MFCD06762645
ZINC000004708951
ZINC04708951
ZINC4708951

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Available files

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