Vitas-M small molecule compound

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

Catalog ID
STK177403
SMILES Cc1ccc(cc1)c1nnc(o1)SCC#CCOC(=O)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 C20H15N3O5S MW 409.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O5S/c1-14-4-6-15(7-5-14)18-21-22-20(28-18)29-13-3-2-12-27-19(24)16-8-10-17(11-9-16)23(25)26/h4-11H,12-13H2,1H3
InChIKey
KIUKFZBUGBFXIX-UHFFFAOYSA-N
Synonyms

4((5(4METHYLPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YL4NITROBENZOATE
4((5(4METHYLPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YNYL4NITROBENZOATE
CC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
Cc1ccc(cc1)c1nnc(o1)SCC#CCOC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H15N3O5Sc1144615(7514)18212220(2818)291332122719(24)1681017(11916)23(25)26h411H1213H21H3
MFCD03249760
ZINC000004538888
ZINC04538888
ZINC4538888

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Available files

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