Vitas-M small molecule compound

[(4-chlorophenyl)sulfonyl][1,4-dioxo-3-(3-pentyl-1H-imidazol-3-ium-1-yl)-1,4-dihydronaphthalen-2-yl]azanide

Catalog ID
STL039375
SMILES CCCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(cc2)Cl)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 C24H22ClN3O4S MW 483.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN3O4S/c1-2-3-6-13-27-14-15-28(16-27)22-21(23(29)19-7-4-5-8-20(19)24(22)30)26-33(31,32)18-11-9-17(25)10-12-18/h4-5,7-12,14-16H,2-3,6,13H2,1H3
InChIKey
MJNGKUGGWLKZFC-UHFFFAOYSA-N
Synonyms

((4chlorophenyl)sulfonyl)(14dioxo3(3pentyl1Himidazol3ium1yl)14dihydronaphthalen2yl)azanide
(3Z)2(3AMYLIMIDAZOL3IUM1YL)3(4CHLOROPHENYL)SULFONYLIMINO4KETONAPHTHALEN1OLATE
(3Z)3(4CHLOROPHENYL)SULFONYLIMINO4OXIDANYLIDENE2(3PENTYLIMIDAZOL3IUM1YL)NAPHTHALEN1OLATE
(3Z)3(4CHLOROPHENYL)SULFONYLIMINO4OXO2(3PENTYL1IMIDAZOL3IUMYL)1NAPHTHALENOLATE
(3Z)3(4CHLOROPHENYL)SULFONYLIMINO4OXO2(3PENTYLIMIDAZOL3IUM1YL)NAPHTHALEN1OLATE
3(4CHLOROPHENYL)SULFONYLIMINO4OXO2(3PENTYLIMIDAZOL3IUM1YL)NAPHTHALEN1OLATE
CCCCC(N+)1=CN(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=C(C=C4)Cl)(O)
CCCCC(n+)1ccn(c1)C1=C((N)S(=O)(=O)c2ccc(cc2)Cl)C(=O)c2c(C1=O)cccc2
InChI=1SC24H22ClN3O4Sc12361327141528(1627)2221(23(29)19745820(19)24(22)30)2633(3132)1811917(25)101218h457121416H23613H21H3
MFCD03818325
ZINC000013635392

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Available files

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