Vitas-M small molecule compound

4-[({3-methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)oxy]benzyl}amino)methyl]benzoic acid

Catalog ID
STK280501
SMILES COc1cc(CNCc2ccc(cc2)C(=O)O)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 C23H21N5O4 MW 431.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O4/c1-31-21-13-17(15-24-14-16-7-10-18(11-8-16)22(29)30)9-12-20(21)32-23-25-26-27-28(23)19-5-3-2-4-6-19/h2-13,24H,14-15H2,1H3,(H,29,30)
InChIKey
VZOKONJCTDKGRX-UHFFFAOYSA-N
Synonyms

4(((3methoxy4((1phenyl1Htetrazol5yl)oxy)benzyl)amino)methyl)benzoicacid
4(((3methoxy4(1phenyltetrazol5yl)oxyphenyl)methylazaniumyl)methyl)benzoate
COC1=C(C=CC(=C1)C(NH2+)CC2=CC=C(C=C2)C(=O)(O))OC3=NN=NN3C4=CC=CC=C4
InChI=1SC23H21N5O4c131211317(1524141671018(11816)22(29)30)91220(21)322325262728(23)195324619h21324H1415H21H3(H2930)
MFCD09269947
ZINC000009194011
ZINC09194011
ZINC9194011

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Available files

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