Vitas-M small molecule compound

3-(4-chlorophenyl)-5-(3,6-diphenylpyridazin-4-yl)-2,1-benzoxazole

Catalog ID
STK950936
SMILES Clc1ccc(cc1)c1onc2c1cc(cc2)c1cc(nnc1c1ccccc1)c1ccccc1

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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 C29H18ClN3O MW 459.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H18ClN3O/c30-23-14-11-21(12-15-23)29-25-17-22(13-16-26(25)33-34-29)24-18-27(19-7-3-1-4-8-19)31-32-28(24)20-9-5-2-6-10-20/h1-18H
InChIKey
CEHVUOJIAKPPHY-UHFFFAOYSA-N
Synonyms

3(4chlorophenyl)5(36diphenylpyridazin4yl)21benzoxazole
5(36DIPHENYLPYRIDAZIN4YL)3(4CHLOROPHENYL)BENZO(C)ISOXAZOLE
C1=CC=C(C=C1)C2=NN=C(C(=C2)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl)C6=CC=CC=C6
InChI=1SC29H18ClN3Oc3023141121(121523)29251722(131626(25)333429)241827(197314819)313228(24)2095261020h118H
MFCD06643350
ZINC000009594237
ZINC09594237
ZINC9594237

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Available files

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