Vitas-M small molecule compound
4-(naphthalen-2-ylsulfanyl)but-2-yn-1-yl 4-nitrobenzoate
Catalog ID
STK122484
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])OCC#CCSc1ccc2c(c1)cccc2
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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 C21H15NO4S MW 377.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15NO4S/c23-21(17-7-10-19(11-8-17)22(24)25)26-13-3-4-14-27-20-12-9-16-5-1-2-6-18(16)15-20/h1-2,5-12,15H,13-14H2InChIKey
MNLYDAQDJRAMFU-UHFFFAOYSA-NSynonyms
4(NAPHTHALEN2YLSULFANYL)BUT2YN1YL4NITROBENZOATE
4NAPHTHALEN2YLSULFANYLBUT2YNYL4NITROBENZOATE
C1=CC=C2C=C(C=CC2=C1)SCC#CCOC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H15NO4Sc2321(1771019(11817)22(24)25)26133414272012916512618(16)1520h1251215H1314H2
MFCD01218658
O=C(c1ccc(cc1)(N+)(=O)(O))OCC#CCSc1ccc2c(c1)cccc2
ZINC000004698942
ZINC04698942
ZINC4698942
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