Vitas-M small molecule compound

N-{3-methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)oxy]benzyl}-2,4,4-trimethylpentan-2-amine

Catalog ID
STK511805
SMILES COc1cc(CNC(CC(C)(C)C)(C)C)ccc1Oc1nnnn1c1ccccc1

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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 C23H31N5O2 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N5O2/c1-22(2,3)16-23(4,5)24-15-17-12-13-19(20(14-17)29-6)30-21-25-26-27-28(21)18-10-8-7-9-11-18/h7-14,24H,15-16H2,1-6H3
InChIKey
HUZQHFFFIIQIPO-UHFFFAOYSA-N
Synonyms

CC(C)(C)CC(C)(C)NCC1=CC(=C(C=C1)OC2=NN=NN2C3=CC=CC=C3)OC
InChI=1SC23H31N5O2c122(23)1623(45)241517121319(20(1417)296)302125262728(21)18108791118h71424H1516H216H3
MFCD09688367
N((3methoxy4(1phenyltetrazol5yl)oxyphenyl)methyl)244trimethylpentan2amine
N(3methoxy4((1phenyl1Htetrazol5yl)oxy)benzyl)244trimethylpentan2amine
ZINC000013717763
ZINC13717763

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Available files

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