Vitas-M small molecule compound

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

Catalog ID
STK522221
SMILES O=C(c1cccs1)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 C16H11NO3S2 MW 329.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11NO3S2/c18-15(14-8-5-11-21-14)19-9-3-4-10-22-16-17-12-6-1-2-7-13(12)20-16/h1-2,5-8,11H,9-10H2
InChIKey
OYXNKBNGQCGOEL-UHFFFAOYSA-N
Synonyms
669715-49-5
4(13benzoxazol2ylsulfanyl)but2yn1ylthiophene2carboxylate
4(13BENZOXAZOL2YLSULFANYL)BUT2YNYLTHIOPHENE2CARBOXYLATE
4(benzo(d)oxazol2ylthio)but2yn1ylthiophene2carboxylate
669715495
C1=CC=C2C(=C1)N=C(O2)SCC#CCOC(=O)C3=CC=CS3
InChI=1SC16H11NO3S2c1815(1485112114)199341022161712612713(12)2016h125811H910H2
MFCD03666297
ZINC000002376404
ZINC02376404
ZINC2376404

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Available files

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