Vitas-M small molecule compound
[3-(3-benzyl-1H-imidazol-3-ium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl][(4-chlorophenyl)sulfonyl]azanide
Catalog ID
STL045953
SMILES Clc1ccc(cc1)S(=O)(=O)[N-]C1=C(n2cc[n+](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 C26H18ClN3O4S MW 503.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClN3O4S/c27-19-10-12-20(13-11-19)35(33,34)28-23-24(26(32)22-9-5-4-8-21(22)25(23)31)30-15-14-29(17-30)16-18-6-2-1-3-7-18/h1-15,17H,16H2InChIKey
NGHJALIHUKNQBP-UHFFFAOYSA-NSynonyms
(3(3benzyl1Himidazol3ium1yl)14dioxo14dihydronaphthalen2yl)((4chlorophenyl)sulfonyl)azanide
(3E)2(3benzylimidazol3ium1yl)3(4chlorophenyl)sulfonylimino4oxonaphthalen1olate
2(3BENZYLIMIDAZOL3IUM1YL)3(4CHLOROPHENYL)SULFONYLIMINO4OXONAPHTHALEN1OLATE
C1=CC=C(C=C1)C(N+)2=CN(C=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(n2cc(n+)(c2)Cc2ccccc2)C(=O)c2c(C1=O)cccc2
InChI=1SC26H18ClN3O4Sc2719101220(131119)35(3334)282324(26(32)22954821(22)25(23)31)30151429(1730)16186213718h11517H16H2
MFCD03809456
ZINC000013307078
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