Vitas-M small molecule compound

[3-(3-benzyl-1H-imidazol-3-ium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl](phenylsulfonyl)azanide

Catalog ID
STK560528
SMILES O=C1C(=C(n2cc[n+](c2)Cc2ccccc2)C(=O)c2c1cccc2)[N-]S(=O)(=O)c1ccccc1

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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 C26H19N3O4S MW 469.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O4S/c30-25-21-13-7-8-14-22(21)26(31)24(23(25)27-34(32,33)20-11-5-2-6-12-20)29-16-15-28(18-29)17-19-9-3-1-4-10-19/h1-16,18H,17H2
InChIKey
SFSIQKJNOSFNKT-UHFFFAOYSA-N
Synonyms

(3(3benzyl1Himidazol3ium1yl)14dioxo14dihydronaphthalen2yl)(phenylsulfonyl)azanide
(3Z)3(benzenesulfonylimino)2(3benzylimidazol3ium1yl)4oxonaphthalen1olate
3(BENZENESULFONYLIMINO)2(3BENZYLIMIDAZOL3IUM1YL)4OXONAPHTHALEN1OLATE
C1=CC=C(C=C1)C(N+)2=CN(C=C2)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=CC=C5)(O)
InChI=1SC26H19N3O4Sc30252113781422(21)26(31)24(23(25)2734(3233)20115261220)29161528(1829)171993141019h11618H17H2
MFCD03795329
O=C1C(=C(n2cc(n+)(c2)Cc2ccccc2)C(=O)c2c1cccc2)(N)S(=O)(=O)c1ccccc1
ZINC000016034822

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Available files

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