Vitas-M small molecule compound
4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate
Catalog ID
STK177415
SMILES Brc1ccc(cc1)c1nnc(o1)SCC#CCOC(=O)c1cc2c(o1)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 C21H13BrN2O4S MW 469.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13BrN2O4S/c22-16-9-7-14(8-10-16)19-23-24-21(28-19)29-12-4-3-11-26-20(25)18-13-15-5-1-2-6-17(15)27-18/h1-2,5-10,13H,11-12H2InChIKey
YWLZJTNZMKYUIE-UHFFFAOYSA-NSynonyms
4((5(4BROMOPHENYL)134OXADIAZOL2YL)SULFANYL)2BUTYNYL1BENZOFURAN2CARBOXYLATE
4((5(4BROMOPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YL1BENZOFURAN2CARBOXYLATE
4((5(4BROMOPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YNYL1BENZOFURAN2CARBOXYLATE
C1=CC=C2C(=C1)C=C(O2)C(=O)OCC#CCSC3=NN=C(O3)C4=CC=C(C=C4)Br
InChI=1SC21H13BrN2O4Sc22169714(81016)19232421(2819)291243112620(25)181315512617(15)2718h1251013H1112H2
MFCD03249201
ZINC000002812981
ZINC02812981
ZINC2812981
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