Vitas-M small molecule compound
4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-nitrobenzoate
Catalog ID
STK267378
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])OCC#CCSc1nnc(o1)c1ccncc1
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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 C18H12N4O5S MW 396.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O5S/c23-17(14-3-5-15(6-4-14)22(24)25)26-11-1-2-12-28-18-21-20-16(27-18)13-7-9-19-10-8-13/h3-10H,11-12H2InChIKey
YSLSNZUQZUCKFG-UHFFFAOYSA-NSynonyms
5743-20-44((5(PYRIDIN4YL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YL4NITROBENZOATE
4((5(pyridin4yl)134oxadiazol2yl)thio)but2yn1yl4nitrobenzoate
4((5PYRIDIN4YL134OXADIAZOL2YL)SULFANYL)BUT2YNYL4NITROBENZOATE
5743204
C1=CC(=CC=C1C(=O)OCC#CCSC2=NN=C(O2)C3=CC=NC=C3)(N+)(=O)(O)
InChI=1SC18H12N4O5Sc2317(143515(6414)22(24)25)261112122818212016(2718)13791910813h310H1112H2
MFCD04006118
O=C(c1ccc(cc1)(N+)(=O)(O))OCC#CCSc1nnc(o1)c1ccncc1
ZINC000001860172
ZINC01860172
ZINC1860172
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