Vitas-M small molecule compound
4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl benzoate
Catalog ID
STK877862
SMILES O=C(c1ccccc1)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 C18H13N3O3S MW 351.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O3S/c22-17(15-6-2-1-3-7-15)23-12-4-5-13-25-18-21-20-16(24-18)14-8-10-19-11-9-14/h1-3,6-11H,12-13H2InChIKey
ROKBRMUQODNEGY-UHFFFAOYSA-NSynonyms
669716-07-84((5(pyridin4yl)134oxadiazol2yl)sulfanyl)but2yn1ylbenzoate
4((5(pyridin4yl)134oxadiazol2yl)thio)but2yn1ylbenzoate
4((5PYRIDIN4YL134OXADIAZOL2YL)SULFANYL)BUT2YNYLBENZOATE
669716078
BENZOICACID4(5PYRIDIN4YL(134)OXADIAZOL2YLSULFANYL)BUT2YNYLESTER
C1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=NC=C3
InChI=1SC18H13N3O3Sc2217(156213715)231245132518212016(2418)148101911914h13611H1213H2
MFCD03675058
ZINC000004559500
ZINC04559500
ZINC4559500
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