Vitas-M small molecule compound

N-{1-[1-(3,4-dimethoxyphenyl)-1H-tetrazol-5-yl]cyclopentyl}-2-methoxyaniline

Catalog ID
STK507386
SMILES COc1cc(ccc1OC)n1nnnc1C1(CCCC1)Nc1ccccc1OC

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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 C21H25N5O3 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O3/c1-27-17-9-5-4-8-16(17)22-21(12-6-7-13-21)20-23-24-25-26(20)15-10-11-18(28-2)19(14-15)29-3/h4-5,8-11,14,22H,6-7,12-13H2,1-3H3
InChIKey
LDMDHUSBMOVNFH-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)N2C(=NN=N2)C3(CCCC3)NC4=CC=CC=C4OC)OC
InChI=1SC21H25N5O3c12717954816(17)2221(12671321)2023242526(20)15101118(282)19(1415)293h458111422H671213H213H3
MFCD13369317
N(1(1(34dimethoxyphenyl)1Htetrazol5yl)cyclopentyl)2methoxyaniline
N(1(1(34dimethoxyphenyl)tetrazol5yl)cyclopentyl)2methoxyaniline
ZINC000035622292
ZINC35622292

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Available files

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