Vitas-M small molecule compound
4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 1-benzofuran-2-carboxylate
Catalog ID
STK123747
SMILES O=C(c1cc2c(o1)cccc2)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 C21H13N3O6S MW 435.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13N3O6S/c25-20(18-13-15-5-1-2-6-17(15)29-18)28-11-3-4-12-31-21-23-22-19(30-21)14-7-9-16(10-8-14)24(26)27/h1-2,5-10,13H,11-12H2InChIKey
ZOIRTRIGLHZNBZ-UHFFFAOYSA-NSynonyms
669716-18-14((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YL1BENZOFURAN2CARBOXYLATE
4((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YNYL1BENZOFURAN2CARBOXYLATE
4((5(4nitrophenyl)134oxadiazol2yl)thio)but2yn1ylbenzofuran2carboxylate
669716181
C1=CC=C2C(=C1)C=C(O2)C(=O)OCC#CCSC3=NN=C(O3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H13N3O6Sc2520(181315512617(15)2918)281134123121232219(3021)147916(10814)24(26)27h1251013H1112H2
MFCD03722287
O=C(c1cc2c(o1)cccc2)OCC#CCSc1nnc(o1)c1ccc(cc1)(N+)(=O)(O)
ZINC000001837816
ZINC01837816
ZINC1837816
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