Vitas-M small molecule compound

methyl 2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoate

Catalog ID
STL443667
SMILES COC(=O)C(Sc1nnc(o1)c1ccc(cc1)Br)C

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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 C12H11BrN2O3S MW 343.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11BrN2O3S/c1-7(11(16)17-2)19-12-15-14-10(18-12)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKey
ZCSMNOJAKXQJAG-UHFFFAOYSA-N
Synonyms

CC(C(=O)OC)SC1=NN=C(O1)C2=CC=C(C=C2)Br
InChI=1SC12H11BrN2O3Sc17(11(16)172)1912151410(1812)8359(13)648h37H12H3
methyl2((5(4bromophenyl)134oxadiazol2yl)sulfanyl)propanoate
MFCD01832395
ZINC000000272898
ZINC000000272899

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Available files

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