Vitas-M small molecule compound

N-{2-[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]butan-2-yl}-2,4-dimethylaniline

Catalog ID
STK507635
SMILES CCC(c1nnnn1c1c(C)cccc1C)(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 C21H27N5 MW 349.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5/c1-7-21(6,22-18-12-11-14(2)13-17(18)5)20-23-24-25-26(20)19-15(3)9-8-10-16(19)4/h8-13,22H,7H2,1-6H3
InChIKey
RIYYUZKSJXXOIO-UHFFFAOYSA-N
Synonyms

CCC(C)(C1=NN=NN1C2=C(C=CC=C2C)C)NC3=C(C=C(C=C3)C)C
InChI=1SC21H27N5c1721(62218121114(2)1317(18)5)2023242526(20)1915(3)981016(19)4h81322H7H216H3
MFCD13369558
N(2(1(26dimethylphenyl)1Htetrazol5yl)butan2yl)24dimethylaniline
N(2(1(26dimethylphenyl)tetrazol5yl)butan2yl)24dimethylaniline
ZINC000035622506
ZINC000102386889

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Available files

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