Vitas-M small molecule compound
4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-nitrobenzoate
Catalog ID
STK177472
SMILES O=C(c1cccc(c1)[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(14-4-3-5-15(12-14)22(24)25)26-10-1-2-11-28-18-21-20-16(27-18)13-6-8-19-9-7-13/h3-9,12H,10-11H2InChIKey
NMDQFGFVDALLJE-UHFFFAOYSA-NSynonyms
669715-81-54((5(PYRIDIN4YL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YL3NITROBENZOATE
4((5(pyridin4yl)134oxadiazol2yl)thio)but2yn1yl3nitrobenzoate
4((5PYRIDIN4YL134OXADIAZOL2YL)SULFANYL)BUT2YNYL3NITROBENZOATE
669715815
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OCC#CCSC2=NN=C(O2)C3=CC=NC=C3
InChI=1SC18H12N4O5Sc2317(1443515(1214)22(24)25)261012112818212016(2718)1368199713h3912H1011H2
MFCD03667301
O=C(c1cccc(c1)(N+)(=O)(O))OCC#CCSc1nnc(o1)c1ccncc1
ZINC000002194486
ZINC02194486
ZINC2194486
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