Vitas-M small molecule compound
4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-nitrobenzoate
Catalog ID
STK177488
SMILES O=C(c1cccc(c1)[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(14-4-3-5-16(12-14)23(27)28)29-10-1-2-11-31-19-21-20-17(30-19)13-6-8-15(9-7-13)22(25)26/h3-9,12H,10-11H2InChIKey
UZLVMQOUSHJRGF-UHFFFAOYSA-NSynonyms
669716-02-34((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YL3NITROBENZOATE
4((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YNYL3NITROBENZOATE
4((5(4nitrophenyl)134oxadiazol2yl)thio)but2yn1yl3nitrobenzoate
669716023
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC19H12N4O7Sc2418(1443516(1214)23(27)28)291012113119212017(3019)136815(9713)22(25)26h3912H1011H2
MFCD03664563
O=C(c1cccc(c1)(N+)(=O)(O))OCC#CCSc1nnc(o1)c1ccc(cc1)(N+)(=O)(O)
ZINC000002369693
ZINC02369693
ZINC2369693
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