Vitas-M small molecule compound
4-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate
Catalog ID
STK208527
SMILES Brc1cccc(c1)c1nnc(o1)SCC#CCOC(=O)c1sc2c(c1Cl)cccc2
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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 C21H12BrClN2O3S2 MW 519.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12BrClN2O3S2/c22-14-7-5-6-13(12-14)19-24-25-21(28-19)29-11-4-3-10-27-20(26)18-17(23)15-8-1-2-9-16(15)30-18/h1-2,5-9,12H,10-11H2InChIKey
ISYXSHCBGPKUEW-UHFFFAOYSA-NSynonyms
4((5(3BROMOPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YL3CHLORO1BENZOTHIOPHENE2CARBOXYLATE
4((5(3BROMOPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YNYL3CHLORO1BENZOTHIOPHENE2CARBOXYLATE
C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC#CCSC3=NN=C(O3)C4=CC(=CC=C4)Br)Cl
InChI=1SC21H12BrClN2O3S2c221475613(1214)19242521(2819)291143102720(26)1817(23)15812916(15)3018h125912H1011H2
MFCD04394659
ZINC000003655879
ZINC3655879
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