Vitas-M small molecule compound

4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-bromobenzoate

Catalog ID
STK828466
SMILES O=C(c1ccccc1Br)OCC#CCSc1nnc(o1)c1ccc(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 C19H12BrN3O5S MW 474.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12BrN3O5S/c20-16-6-2-1-5-15(16)18(24)27-11-3-4-12-29-19-22-21-17(28-19)13-7-9-14(10-8-13)23(25)26/h1-2,5-10H,11-12H2
InChIKey
VYFPFAHCKIEWKI-UHFFFAOYSA-N
Synonyms
669716-24-9
4((5(4nitrophenyl)134oxadiazol2yl)sulfanyl)but2yn1yl2bromobenzoate
4((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YNYL2BROMOBENZOATE
4((5(4nitrophenyl)134oxadiazol2yl)thio)but2yn1yl2bromobenzoate
669716249
C1=CC=C(C(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)(N+)(=O)(O))Br
InChI=1SC19H12BrN3O5Sc2016621515(16)18(24)271134122919222117(2819)137914(10813)23(25)26h12510H1112H2
MFCD03993741
O=C(c1ccccc1Br)OCC#CCSc1nnc(o1)c1ccc(cc1)(N+)(=O)(O)
ZINC000002258476
ZINC02258476
ZINC2258476

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Available files

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