Vitas-M small molecule compound
4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-nitrobenzoate
Catalog ID
STK124518
SMILES O=C(c1ccc(cc1)[N+](=O)[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 C19H12N4O7S MW 440.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12N4O7S/c24-18(14-5-9-16(10-6-14)23(27)28)29-11-1-2-12-31-19-21-20-17(30-19)13-3-7-15(8-4-13)22(25)26/h3-10H,11-12H2InChIKey
XJEYXLFDGWFMRD-UHFFFAOYSA-NSynonyms
669716-25-04((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YL4NITROBENZOATE
4((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YNYL4NITROBENZOATE
4((5(4nitrophenyl)134oxadiazol2yl)thio)but2yn1yl4nitrobenzoate
669716250
C1=CC(=CC=C1C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H12N4O7Sc2418(145916(10614)23(27)28)291112123119212017(3019)133715(8413)22(25)26h310H1112H2
MFCD04005185
O=C(c1ccc(cc1)(N+)(=O)(O))OCC#CCSc1nnc(o1)c1ccc(cc1)(N+)(=O)(O)
ZINC000001838222
ZINC01838222
ZINC1838222
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