Vitas-M small molecule compound

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

Catalog ID
STK512357
SMILES COc1cc(CNCCc2ccc(cc2Cl)Cl)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 C23H21Cl2N5O2 MW 470.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21Cl2N5O2/c1-31-22-13-16(15-26-12-11-17-8-9-18(24)14-20(17)25)7-10-21(22)32-23-27-28-29-30(23)19-5-3-2-4-6-19/h2-10,13-14,26H,11-12,15H2,1H3
InChIKey
XCJQIQOGELBOOI-UHFFFAOYSA-N
Synonyms

2(24dichlorophenyl)N((3methoxy4(1phenyltetrazol5yl)oxyphenyl)methyl)ethanamine
2(24dichlorophenyl)N(3methoxy4((1phenyl1Htetrazol5yl)oxy)benzyl)ethanamine
COC1=C(C=CC(=C1)CNCCC2=C(C=C(C=C2)Cl)Cl)OC3=NN=NN3C4=CC=CC=C4
InChI=1SC23H21Cl2N5O2c131221316(15261211178918(24)1420(17)25)71021(22)322327282930(23)195324619h210131426H111215H21H3
MFCD09690113
ZINC000013723384
ZINC13723384

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Available files

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