Vitas-M small molecule compound

N-{2-[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]butan-2-yl}-3-methoxyaniline

Catalog ID
STL443894
SMILES CCC(c1nnnn1c1c(C)cccc1C)(Nc1cccc(c1)OC)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 C20H25N5O MW 351.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O/c1-6-20(4,21-16-11-8-12-17(13-16)26-5)19-22-23-24-25(19)18-14(2)9-7-10-15(18)3/h7-13,21H,6H2,1-5H3
InChIKey
UYQORDJNBSDXCS-UHFFFAOYSA-N
Synonyms

361463970
CCC(C)(C1=NN=NN1C2=C(C=CC=C2C)C)NC3=CC(=CC=C3)OC
InChI=1SC20H25N5Oc1620(421161181217(1316)265)1922232425(19)1814(2)971015(18)3h71321H6H215H3
MFCD00371318
N(2(1(26dimethylphenyl)1Htetrazol5yl)butan2yl)3methoxyaniline
N(2(1(26DIMETHYLPHENYL)1HTETRAZOL5YL)BUTAN2YL)3METHOXYBENZENAMINE
N(2(1(26DIMETHYLPHENYL)TETRAZOL5YL)BUTAN2YL)3METHOXYANILINE
ZINC000004936415
ZINC000004936418

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Available files

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