Vitas-M small molecule compound
4-(phenylsulfanyl)but-2-yn-1-yl 4-nitrobenzoate
Catalog ID
STK273491
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])OCC#CCSc1ccccc1
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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 C17H13NO4S MW 327.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13NO4S/c19-17(14-8-10-15(11-9-14)18(20)21)22-12-4-5-13-23-16-6-2-1-3-7-16/h1-3,6-11H,12-13H2InChIKey
OLZVBKXPGHKRDJ-UHFFFAOYSA-NSynonyms
4(phenylsulfanyl)but2yn1yl4nitrobenzoate
4phenylsulfanylbut2ynyl4nitrobenzoate
C1=CC=C(C=C1)SCC#CCOC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC17H13NO4Sc1917(1481015(11914)18(20)21)2212451323166213716h13611H1213H2
MFCD01218666
O=C(c1ccc(cc1)(N+)(=O)(O))OCC#CCSc1ccccc1
ZINC000005604172
ZINC05604172
ZINC5604172
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