Vitas-M small molecule compound

4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-yn-1-yl 4-nitrobenzoate

Catalog ID
STK177458
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])OCC#CCSc1nnc(o1)c1ccccc1

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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 C19H13N3O5S MW 395.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O5S/c23-18(15-8-10-16(11-9-15)22(24)25)26-12-4-5-13-28-19-21-20-17(27-19)14-6-2-1-3-7-14/h1-3,6-11H,12-13H2
InChIKey
DXXNLIGBDXLJPO-UHFFFAOYSA-N
Synonyms
669715-64-4
4((5PHENYL134OXADIAZOL2YL)SULFANYL)BUT2YN1YL4NITROBENZOATE
4((5PHENYL134OXADIAZOL2YL)SULFANYL)BUT2YNYL4NITROBENZOATE
4((5phenyl134oxadiazol2yl)thio)but2yn1yl4nitrobenzoate
669715644
C1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC19H13N3O5Sc2318(1581016(11915)22(24)25)261245132819212017(2719)146213714h13611H1213H2
MFCD03667502
O=C(c1ccc(cc1)(N+)(=O)(O))OCC#CCSc1nnc(o1)c1ccccc1
ZINC000002827428
ZINC02827428
ZINC2827428

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Available files

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