Vitas-M small molecule compound

N-{2-[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]butan-2-yl}-2,4-dimethylaniline

Catalog ID
STK507646
SMILES CCC(c1nnnn1c1ccc(cc1)OC)(Nc1ccc(cc1C)C)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(4,21-18-12-7-14(2)13-15(18)3)19-22-23-24-25(19)16-8-10-17(26-5)11-9-16/h7-13,21H,6H2,1-5H3
InChIKey
AETNQJQXIXKXCQ-UHFFFAOYSA-N
Synonyms

CCC(C)(C1=NN=NN1C2=CC=C(C=C2)OC)NC3=C(C=C(C=C3)C)C
InChI=1SC20H25N5Oc1620(4211812714(2)1315(18)3)1922232425(19)1681017(265)11916h71321H6H215H3
MFCD13369569
N(2(1(4methoxyphenyl)1Htetrazol5yl)butan2yl)24dimethylaniline
N(2(1(4methoxyphenyl)tetrazol5yl)butan2yl)24dimethylaniline
ZINC000035622536
ZINC000035622538

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Available files

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