Vitas-M small molecule compound
4-[(4-nitrophenyl)sulfanyl]but-2-yn-1-yl 4-nitrobenzoate
Catalog ID
STK111881
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])OCC#CCSc1ccc(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 C17H12N2O6S MW 372.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O6S/c20-17(13-3-5-14(6-4-13)18(21)22)25-11-1-2-12-26-16-9-7-15(8-10-16)19(23)24/h3-10H,11-12H2InChIKey
PHMOOJIHKXPMDB-UHFFFAOYSA-NSynonyms
4((4NITROPHENYL)SULFANYL)BUT2YN1YL4NITROBENZOATE
4(4NITROPHENYL)SULFANYLBUT2YNYL4NITROBENZOATE
C1=CC(=CC=C1C(=O)OCC#CCSC2=CC=C(C=C2)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H12N2O6Sc2017(133514(6413)18(21)22)2511121226169715(81016)19(23)24h310H1112H2
MFCD03060548
O=C(c1ccc(cc1)(N+)(=O)(O))OCC#CCSc1ccc(cc1)(N+)(=O)(O)
ZINC000004689506
ZINC04689506
ZINC4689506
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