Vitas-M small molecule compound
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-yn-1-yl 3-nitrobenzoate
Catalog ID
STK177471
SMILES O=C(c1cccc(c1)[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(15-9-6-10-16(13-15)22(24)25)26-11-4-5-12-28-19-21-20-17(27-19)14-7-2-1-3-8-14/h1-3,6-10,13H,11-12H2InChIKey
INCCLWQMCMKDSF-UHFFFAOYSA-NSynonyms
669715-80-44((5PHENYL134OXADIAZOL2YL)SULFANYL)BUT2YN1YL3NITROBENZOATE
4((5PHENYL134OXADIAZOL2YL)SULFANYL)BUT2YNYL3NITROBENZOATE
4((5phenyl134oxadiazol2yl)thio)but2yn1yl3nitrobenzoate
669715804
C1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC19H13N3O5Sc2318(15961016(1315)22(24)25)261145122819212017(2719)147213814h1361013H1112H2
MFCD03667054
O=C(c1cccc(c1)(N+)(=O)(O))OCC#CCSc1nnc(o1)c1ccccc1
ZINC000002377868
ZINC02377868
ZINC2377868
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