Vitas-M small molecule compound
4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate
Catalog ID
STK177481
SMILES O=C(c1ccccc1)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 C19H13N3O5S MW 395.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O5S/c23-18(15-6-2-1-3-7-15)26-12-4-5-13-28-19-21-20-17(27-19)14-8-10-16(11-9-14)22(24)25/h1-3,6-11H,12-13H2InChIKey
NNFCGVWNISOOEP-UHFFFAOYSA-NSynonyms
669715-91-74((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YLBENZOATE
4((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YNYLBENZOATE
4((5(4nitrophenyl)134oxadiazol2yl)thio)but2yn1ylbenzoate
669715917
C1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC19H13N3O5Sc2318(156213715)261245132819212017(2719)1481016(11914)22(24)25h13611H1213H2
MFCD03674253
O=C(c1ccccc1)OCC#CCSc1nnc(o1)c1ccc(cc1)(N+)(=O)(O)
ZINC000002212278
ZINC02212278
ZINC2212278
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