Vitas-M small molecule compound

[3-(3,4-dimethylpyridinium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl](thiophen-2-ylsulfonyl)azanide

Catalog ID
STK545581
SMILES O=C1C(=C([N-]S(=O)(=O)c2cccs2)C(=O)c2c1cccc2)[n+]1ccc(c(c1)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 C21H16N2O4S2 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O4S2/c1-13-9-10-23(12-14(13)2)19-18(22-29(26,27)17-8-5-11-28-17)20(24)15-6-3-4-7-16(15)21(19)25/h3-12H,1-2H3
InChIKey
NXANSMQWMSOKQV-UHFFFAOYSA-N
Synonyms
1027619-95-9
(3(34dimethylpyridin1ium1yl)14dioxo14dihydronaphthalen2yl)(thiophen2ylsulfonyl)amide
(3(34dimethylpyridinium1yl)14dioxo14dihydronaphthalen2yl)(thiophen2ylsulfonyl)azanide
(3Z)2(34DIMETHYL1PYRIDIN1IUMYL)4OXO3THIOPHEN2YLSULFONYLIMINO1NAPHTHALENOLATE
(3Z)2(34DIMETHYLPYRIDIN1IUM1YL)4KETO3(2THIENYLSULFONYLIMINO)NAPHTHALEN1OLATE
(3Z)2(34DIMETHYLPYRIDIN1IUM1YL)4OXIDANYLIDENE3THIOPHEN2YLSULFONYLIMINONAPHTHALEN1OLATE
(3Z)2(34DIMETHYLPYRIDIN1IUM1YL)4OXO3THIOPHEN2YLSULFONYLIMINONAPHTHALEN1OLATE
1027619959
2(34DIMETHYLPYRIDIN1IUM1YL)4OXO3THIOPHEN2YLSULFONYLIMINONAPHTHALEN1OLATE
CC1=C(C=(N+)(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=CS4)(O))C
InChI=1SC21H16N2O4S2c11391023(1214(13)2)1918(2229(2627)1785112817)20(24)15634716(15)21(19)25h312H12H3
MFCD03289088
O=C1C(=C((N)S(=O)(=O)c2cccs2)C(=O)c2c1cccc2)(n+)1ccc(c(c1)C)C
ZINC000002329407
ZINC02329407

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Available files

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