Vitas-M small molecule compound

2,2'-[benzene-1,4-diylbis(methanediylsulfanediyl)]bis(1,3-benzoxazole)

Catalog ID
STL356745
SMILES c1ccc2c(c1)oc(n2)SCc1ccc(cc1)CSc1nc2c(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 C22H16N2O2S2 MW 404.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N2O2S2/c1-3-7-19-17(5-1)23-21(25-19)27-13-15-9-11-16(12-10-15)14-28-22-24-18-6-2-4-8-20(18)26-22/h1-12H,13-14H2
InChIKey
ADEFCKAVOMELMC-UHFFFAOYSA-N
Synonyms
296274-39-0
14bis((benzo(d)oxazol2ylthio)methyl)benzene
2((4(13BENZOXAZOL2YLSULFANYLMETHYL)PHENYL)METHYLSULFANYL)13BENZOXAZOLE
22(benzene14diylbis(methanediylsulfanediyl))bis(13benzoxazole)
296274390
C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(C=C3)CSC4=NC5=CC=CC=C5O4
InChI=1SC22H16N2O2S2c1371917(51)2321(2519)27131591116(121015)1428222418624820(18)2622h112H1314H2
MFCD00692938
ZINC000002322284
ZINC02322284
ZINC2322284

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Available files

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