Vitas-M small molecule compound

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

Catalog ID
STK522217
SMILES O=C(c1ccco1)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 C16H11NO4S MW 313.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11NO4S/c18-15(14-8-5-10-19-14)20-9-3-4-11-22-16-17-12-6-1-2-7-13(12)21-16/h1-2,5-8,10H,9,11H2
InChIKey
ZRWNUKSWRYZMJM-UHFFFAOYSA-N
Synonyms
669715-23-5
4(13benzoxazol2ylsulfanyl)but2yn1ylfuran2carboxylate
4(13BENZOXAZOL2YLSULFANYL)BUT2YNYLFURAN2CARBOXYLATE
4(benzo(d)oxazol2ylthio)but2yn1ylfuran2carboxylate
669715235
C1=CC=C2C(=C1)N=C(O2)SCC#CCOC(=O)C3=CC=CO3
InChI=1SC16H11NO4Sc1815(1485101914)209341122161712612713(12)2116h125810H911H2
MFCD03664878
ZINC000002370465
ZINC02370465
ZINC2370465

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Available files

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