Vitas-M small molecule compound

1-[2-(dodecylsulfanyl)-5-nitrophenyl]ethanone

Catalog ID
STK370648
SMILES CCCCCCCCCCCCSc1ccc(cc1C(=O)C)[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 C20H31NO3S MW 365.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31NO3S/c1-3-4-5-6-7-8-9-10-11-12-15-25-20-14-13-18(21(23)24)16-19(20)17(2)22/h13-14,16H,3-12,15H2,1-2H3
InChIKey
JSGIUSDGSWKWSK-UHFFFAOYSA-N
Synonyms

1(2(dodecylsulfanyl)5nitrophenyl)ethanone
1(2DODECYLSULFANYL5NITROPHENYL)ETHANONE
1ACETYL2DODECYLTHIO5NITROBENZENE
CCCCCCCCCCCCSC1=C(C=C(C=C1)(N+)(=O)(O))C(=O)C
CCCCCCCCCCCCSc1ccc(cc1C(=O)C)(N+)(=O)(O)
InChI=1SC20H31NO3Sc13456789101112152520141318(21(23)24)1619(20)17(2)22h131416H31215H212H3
MFCD00375583
ZINC000096022861
ZINC96022861

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Available files

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