Vitas-M small molecule compound

2-(4-chlorobenzyl)-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-oxadiazole

Catalog ID
STK294070
SMILES Clc1ccc(cc1)Cc1nnc(o1)SCc1ccc(cc1)[N+](=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 C16H12ClN3O3S MW 361.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O3S/c17-13-5-1-11(2-6-13)9-15-18-19-16(23-15)24-10-12-3-7-14(8-4-12)20(21)22/h1-8H,9-10H2
InChIKey
LMGJAJQKPCEWEM-UHFFFAOYSA-N
Synonyms

2((4CHLOROPHENYL)METHYL)5((4NITROPHENYL)METHYLSULFANYL)134OXADIAZOLE
2(4chlorobenzyl)5((4nitrobenzyl)sulfanyl)134oxadiazole
C1=CC(=CC=C1CC2=NN=C(O2)SCC3=CC=C(C=C3)(N+)(=O)(O))Cl
Clc1ccc(cc1)Cc1nnc(o1)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC16H12ClN3O3Sc17135111(2613)915181916(2315)2410123714(8412)20(21)22h18H910H2
MFCD06628567
ZINC000004833878
ZINC04833878
ZINC4833878

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Available files

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