Vitas-M small molecule compound

4-(phenylsulfonyl)but-2-yn-1-yl 4-nitrobenzoate

Catalog ID
STK071753
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])OCC#CCS(=O)(=O)c1ccccc1

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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 C17H13NO6S MW 359.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13NO6S/c19-17(14-8-10-15(11-9-14)18(20)21)24-12-4-5-13-25(22,23)16-6-2-1-3-7-16/h1-3,6-11H,12-13H2
InChIKey
HKBBVNWKXZIQFE-UHFFFAOYSA-N
Synonyms

4(BENZENESULFONYL)BUT2YNYL4NITROBENZOATE
4(PHENYLSULFONYL)BUT2YN1YL4NITROBENZOATE
C1=CC=C(C=C1)S(=O)(=O)CC#CCOC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC17H13NO6Sc1917(1481015(11914)18(20)21)2412451325(2223)166213716h13611H1213H2
MFCD01218659
O=C(c1ccc(cc1)(N+)(=O)(O))OCC#CCS(=O)(=O)c1ccccc1
STK071753
ZINC000004599690
ZINC04599690
ZINC4599690

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.