Vitas-M small molecule compound

[3-(3-benzylpyridinium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl][(4-chlorophenyl)sulfonyl]azanide

Catalog ID
STK534213
SMILES Clc1ccc(cc1)S(=O)(=O)[N-]C1=C([n+]2cccc(c2)Cc2ccccc2)C(=O)c2c(C1=O)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 C28H19ClN2O4S MW 514.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19ClN2O4S/c29-21-12-14-22(15-13-21)36(34,35)30-25-26(28(33)24-11-5-4-10-23(24)27(25)32)31-16-6-9-20(18-31)17-19-7-2-1-3-8-19/h1-16,18H,17H2
InChIKey
LXIDCWSIJZPKPU-UHFFFAOYSA-N
Synonyms

(3(3benzylpyridin1ium1yl)14dioxo14dihydronaphthalen2yl)((4chlorophenyl)sulfonyl)amide
(3(3benzylpyridinium1yl)14dioxo14dihydronaphthalen2yl)((4chlorophenyl)sulfonyl)azanide
(3Z)2(3benzylpyridin1ium1yl)3(4chlorophenyl)sulfonylimino4oxonaphthalen1olate
2(3BENZYLPYRIDIN1IUM1YL)3(4CHLOROPHENYL)SULFONYLIMINO4OXONAPHTHALEN1OLATE
2(3BENZYLPYRIDINIUM1YL)3(((4CHLOROPHENYL)SULFONYL)IMINO)4OXO34DIHYDRONAPHTHALEN1OLATE
C1=CC=C(C=C1)CC2=C(N+)(=CC=C2)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=C(C=C5)Cl)(O)
Clc1ccc(cc1)S(=O)(=O)(N)C1=C((n+)2cccc(c2)Cc2ccccc2)C(=O)c2c(C1=O)cccc2
InChI=1SC28H19ClN2O4Sc2921121422(151321)36(3435)302526(28(33)2411541023(24)27(25)32)31166920(1831)17197213819h11618H17H2
MFCD02988874
ZINC000002228350

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Available files

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