Vitas-M small molecule compound

2-[1-(2-ethyl-6-methylphenyl)-1H-tetrazol-5-yl]tricyclo[3.3.1.1~3,7~]decan-2-amine

Catalog ID
STK507736
SMILES CCc1cccc(c1n1nnnc1C1(N)C2CC3CC1CC(C2)C3)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 C20H27N5 MW 337.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5/c1-3-15-6-4-5-12(2)18(15)25-19(22-23-24-25)20(21)16-8-13-7-14(10-16)11-17(20)9-13/h4-6,13-14,16-17H,3,7-11,21H2,1-2H3
InChIKey
SSQQYIDRAZRXBE-UHFFFAOYSA-N
Synonyms

2(1(2ethyl6methylphenyl)1Htetrazol5yl)tricyclo(3311~37~)decan2amine
2(1(2ethyl6methylphenyl)tetrazol5yl)adamantan2amine
CCC1=CC=CC(=C1N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)N)C
InChI=1SC20H27N5c131564512(2)18(15)2519(22232425)20(21)16813714(1016)1117(20)913h4613141617H371121H212H3
MFCD13369655
ZINC000035606533
ZINC35606533

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Available files

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