Vitas-M small molecule compound

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

Catalog ID
STK189592
SMILES Clc1ccc(cc1)c1nnc(o1)SCc1cccc(c1)C(=O)O

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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 C16H11ClN2O3S MW 346.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN2O3S/c17-13-6-4-11(5-7-13)14-18-19-16(22-14)23-9-10-2-1-3-12(8-10)15(20)21/h1-8H,9H2,(H,20,21)
InChIKey
MQDAIDCUEBTDPQ-UHFFFAOYSA-N
Synonyms

3(((5(4CHLOROPHENYL)134OXADIAZOL2YL)SULFANYL)METHYL)BENZOICACID
3(((5(4CHLOROPHENYL)134OXADIAZOL2YL)THIO)METHYL)BENZOICACID
3((5(4CHLOROPHENYL)134OXADIAZOL2YL)SULFANYLMETHYL)BENZOICACID
C1=CC(=CC(=C1)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl)C(=O)O
InChI=1SC16H11ClN2O3Sc17136411(5713)14181916(2214)2391021312(810)15(20)21h18H9H2(H2021)
MFCD05812737
ZINC000004723973
ZINC4723973

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Available files

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