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2-{2-[(4-tert-butyl-2,6-dimethylphenyl)sulfanyl]ethyl}-1-[2-(4-nitrophenyl)-2-oxoethyl]pyridinium

Catalog ID
STL059290
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])C[n+]1ccccc1CCSc1c(C)cc(cc1C)C(C)(C)C

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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 C27H31N2O3S MW 463.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N2O3S/c1-19-16-22(27(3,4)5)17-20(2)26(19)33-15-13-23-8-6-7-14-28(23)18-25(30)21-9-11-24(12-10-21)29(31)32/h6-12,14,16-17H,13,15,18H2,1-5H3/q+1
InChIKey
FCSPLBHOFZPWNK-UHFFFAOYSA-N
Synonyms

2(2((4(tertbutyl)26dimethylphenyl)thio)ethyl)1(2(4nitrophenyl)2oxoethyl)pyridin1iumbromide
2(2((4tertbutyl26dimethylphenyl)sulfanyl)ethyl)1(2(4nitrophenyl)2oxoethyl)pyridinium
2(2(2((4TERTBUTYL26DIMETHYLPHENYL)THIO)ETHYL)1PYRIDIN1IUMYL)1(4NITROPHENYL)ETHANONEBROMIDE
2(2(2((4TERTBUTYL26DIMETHYLPHENYL)THIO)ETHYL)PYRIDIN1IUM1YL)1(4NITROPHENYL)ETHANONEBROMIDE
2(2(2(4TERTBUTYL26DIMETHYLPHENYL)SULFANYLETHYL)PYRIDIN1IUM1YL)1(4NITROPHENYL)ETHANONE
2(2(2(4TERTBUTYL26DIMETHYLPHENYL)SULFANYLETHYL)PYRIDIN1IUM1YL)1(4NITROPHENYL)ETHANONEBROMIDE
2(2(4TERTBUTYL26DIMETHYLPHENYLSULFANYL)ETHYL)1(2(4NITROPHENYL)2OXOETHYL)PYRIDINIUM
CC1=CC(=CC(=C1SCCC2=CC=CC=(N+)2CC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C)C(C)(C)C
InChI=1SC27H31N2O3Sc1191622(27(34)5)1720(2)26(19)331513238671428(23)1825(30)2191124(121021)29(31)32h612141617H131518H215H3q+1
O=C(c1ccc(cc1)(N+)(=O)(O))C(n+)1ccccc1CCSc1c(C)cc(cc1C)C(C)(C)C
O=C(c1ccc(cc1)(N+)(=O)(O))C(n+)1ccccc1CCSc1c(C)cc(cc1C)C(C)(C)C(Br)
ZINC000001813498
ZINC01813498
ZINC1813498

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Available files

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