Vitas-M small molecule compound

4-(1,3-benzoxazol-2-ylsulfanyl)but-2-yn-1-yl 4-methoxybenzoate

Catalog ID
STK177466
SMILES COc1ccc(cc1)C(=O)OCC#CCSc1nc2c(o1)cccc2

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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 C19H15NO4S MW 353.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15NO4S/c1-22-15-10-8-14(9-11-15)18(21)23-12-4-5-13-25-19-20-16-6-2-3-7-17(16)24-19/h2-3,6-11H,12-13H2,1H3
InChIKey
ABAQWMMNRNUZHB-UHFFFAOYSA-N
Synonyms
667898-95-5
4(13BENZOXAZOL2YLSULFANYL)BUT2YN1YL4METHOXYBENZOATE
4(13BENZOXAZOL2YLSULFANYL)BUT2YNYL4METHOXYBENZOATE
4(benzo(d)oxazol2ylthio)but2yn1yl4methoxybenzoate
667898955
COC1=CC=C(C=C1)C(=O)OCC#CCSC2=NC3=CC=CC=C3O2
InChI=1SC19H15NO4Sc1221510814(91115)18(21)2312451325192016623717(16)2419h23611H1213H21H3
MFCD03667121
ZINC000002184299
ZINC02184299
ZINC2184299

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Available files

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