Vitas-M small molecule compound

3-(4-chlorophenyl)-5-(phenylethynyl)-2,1-benzoxazole

Catalog ID
STK948679
SMILES Clc1ccc(cc1)c1onc2c1cc(C#Cc1ccccc1)cc2

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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 C21H12ClNO MW 329.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12ClNO/c22-18-11-9-17(10-12-18)21-19-14-16(8-13-20(19)23-24-21)7-6-15-4-2-1-3-5-15/h1-5,8-14H
InChIKey
VSUUMLOTDPPXMV-UHFFFAOYSA-N
Synonyms
851814-27-2
3(4CHLOROPHENYL)5(2PHENYLETHYNYL)21BENZOXAZOLE
3(4CHLOROPHENYL)5(2PHENYLETHYNYL)BENZO(C)ISOXAZOLE
3(4chlorophenyl)5(phenylethynyl)21benzoxazole
851814272
C1=CC=C(C=C1)C#CC2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Cl
InChI=1SC21H12ClNOc221811917(101218)21191416(81320(19)232421)76154213515h15814H
MFCD06386714
ZINC000003399238
ZINC03399238
ZINC3399238

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Available files

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