Vitas-M small molecule compound

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

Catalog ID
STK177467
SMILES COc1ccc(cc1)C(=O)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 C20H15N3O6S MW 425.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O6S/c1-27-17-10-6-15(7-11-17)19(24)28-12-2-3-13-30-20-22-21-18(29-20)14-4-8-16(9-5-14)23(25)26/h4-11H,12-13H2,1H3
InChIKey
SOBZQJLQCIKNHM-UHFFFAOYSA-N
Synonyms
669715-76-8
4((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YL4METHOXYBENZOATE
4((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YNYL4METHOXYBENZOATE
4((5(4nitrophenyl)134oxadiazol2yl)thio)but2yn1yl4methoxybenzoate
669715768
COC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)(N+)(=O)(O)
COc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H15N3O6Sc1271710615(71117)19(24)281223133020222118(2920)144816(9514)23(25)26h411H1213H21H3
MFCD03663344
ZINC000002365941
ZINC02365941
ZINC2365941

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Available files

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