Vitas-M small molecule compound
1-[2-(4-nitrophenyl)-2-oxoethyl]-4-(2-{[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]sulfanyl}ethyl)pyridinium
Catalog ID
STL059291
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])C[n+]1ccc(cc1)CCSc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
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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 C31H33N2O3S MW 513.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N2O3S/c34-30(26-1-5-28(6-2-26)33(35)36)21-32-12-9-22(10-13-32)11-14-37-29-7-3-27(4-8-29)31-18-23-15-24(19-31)17-25(16-23)20-31/h1-10,12-13,23-25H,11,14-21H2/q+1InChIKey
RSGSFQFSDBVLRI-UHFFFAOYSA-NSynonyms
1(2(4nitrophenyl)2oxoethyl)4(2((4(tricyclo(3311~37~)dec1yl)phenyl)sulfanyl)ethyl)pyridinium
2(4(2(4(1ADAMANTYL)PHENYL)SULFANYLETHYL)PYRIDIN1IUM1YL)1(4NITROPHENYL)ETHANONE
4(2((4((3r5r7r)adamantan1yl)phenyl)thio)ethyl)1(2(4nitrophenyl)2oxoethyl)pyridin1iumbromide
C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)SCCC5=CC=(N+)(C=C5)CC(=O)C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC31H33N2O3Sc3430(261528(6226)33(35)36)213212922(101332)111437297327(4829)3118231524(1931)1725(1623)2031h11012132325H111421H2q+1
O=C(c1ccc(cc1)(N+)(=O)(O))C(n+)1ccc(cc1)CCSc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
O=C(c1ccc(cc1)(N+)(=O)(O))C(n+)1ccc(cc1)CCSc1ccc(cc1)C12CC3CC(C2)CC(C1)C3(Br)
ZINC000008817704
ZINC08817704
ZINC8817704
Check stock
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Check stock on Vitas-MAvailable files
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