Vitas-M small molecule compound

2-{[2-(octylsulfonyl)ethyl]sulfanyl}-1,3-benzoxazole

Catalog ID
STK695222
SMILES CCCCCCCCS(=O)(=O)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 C17H25NO3S2 MW 355.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25NO3S2/c1-2-3-4-5-6-9-13-23(19,20)14-12-22-17-18-15-10-7-8-11-16(15)21-17/h7-8,10-11H,2-6,9,12-14H2,1H3
InChIKey
CDESOPBPRYGGEF-UHFFFAOYSA-N
Synonyms

2((2(octylsulfonyl)ethyl)sulfanyl)13benzoxazole
2(2octylsulfonylethylsulfanyl)13benzoxazole
2BENZOXAZOL2YLTHIO1(OCTYLSULFONYL)ETHANE
CCCCCCCCS(=O)(=O)CCSC1=NC2=CC=CC=C2O1
InChI=1SC17H25NO3S2c12345691323(1920)14122217181510781116(15)2117h781011H2691214H21H3
MFCD12035393
ZINC000100245888
ZINC100245888

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Available files

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