Vitas-M small molecule compound

2-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}benzoic acid

Catalog ID
STK730798
SMILES OC(=O)c1ccccc1SCc1nnc(o1)c1ccccc1

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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 C16H12N2O3S MW 312.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O3S/c19-16(20)12-8-4-5-9-13(12)22-10-14-17-18-15(21-14)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)
InChIKey
KKEDEKACMLWWTE-UHFFFAOYSA-N
Synonyms
951895-39-9
2(((5phenyl134oxadiazol2yl)methyl)sulfanyl)benzoicacid
2(((5PHENYL134OXADIAZOL2YL)METHYL)THIO)BENZOICACID
2((5phenyl134oxadiazol2yl)methylsulfanyl)benzoicacid
2((5PHENYL134OXADIAZOL2YL)METHYLTHIO)BENZOICACID
951895399
C1=CC=C(C=C1)C2=NN=C(O2)CSC3=CC=CC=C3C(=O)O
InChI=1SC16H12N2O3Sc1916(20)12845913(12)221014171815(2114)116213711h19H10H2(H1920)
MFCD09874945
ZINC000011692907
ZINC11692907

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Available files

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