Vitas-M small molecule compound

2-[(4-iodobenzyl)sulfanyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole

Catalog ID
STK294365
SMILES COc1cccc(c1)c1nnc(o1)SCc1ccc(cc1)I

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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 C16H13IN2O2S MW 424.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13IN2O2S/c1-20-14-4-2-3-12(9-14)15-18-19-16(21-15)22-10-11-5-7-13(17)8-6-11/h2-9H,10H2,1H3
InChIKey
WEHALFYYAFDLNF-UHFFFAOYSA-N
Synonyms

2((4iodobenzyl)sulfanyl)5(3methoxyphenyl)134oxadiazole
2((4iodophenyl)methylsulfanyl)5(3methoxyphenyl)134oxadiazole
COC1=CC=CC(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)I
InChI=1SC16H13IN2O2Sc1201442312(914)15181916(2115)2210115713(17)8611h29H10H21H3
MFCD10465633
ZINC000021146982
ZINC21146982

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Available files

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