Vitas-M small molecule compound
[(4-bromophenyl)sulfonyl]{3-[4-(cyclohex-3-en-1-yl)pyridinium-1-yl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}azanide
Catalog ID
STL336046
SMILES Brc1ccc(cc1)S(=O)(=O)[N-]C1=C([n+]2ccc(cc2)C2CCC=CC2)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 C27H21BrN2O4S MW 549.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrN2O4S/c28-20-10-12-21(13-11-20)35(33,34)29-24-25(27(32)23-9-5-4-8-22(23)26(24)31)30-16-14-19(15-17-30)18-6-2-1-3-7-18/h1-2,4-5,8-18H,3,6-7H2InChIKey
GYAWOIGFBLYNSS-UHFFFAOYSA-NSynonyms
1258204-51-1((4bromophenyl)sulfonyl)(3(4(cyclohex3en1yl)pyridin1ium1yl)14dioxo14dihydronaphthalen2yl)amide
((4bromophenyl)sulfonyl)(3(4(cyclohex3en1yl)pyridinium1yl)14dioxo14dihydronaphthalen2yl)azanide
1258204511
3(4BROMOPHENYL)SULFONYLIMINO2(4CYCLOHEX3EN1YLPYRIDIN1IUM1YL)4OXONAPHTHALEN1OLATE
Brc1ccc(cc1)S(=O)(=O)(N)C1=C((n+)2ccc(cc2)C2CCC=CC2)C(=O)c2c(C1=O)cccc2
C1CC(CC=C1)C2=CC=(N+)(C=C2)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=C(C=C5)Br)(O)
InChI=1SC27H21BrN2O4Sc2820101221(131120)35(3334)292425(27(32)23954822(23)26(24)31)30161419(151730)186213718h1245818H367H2
MFCD03662780
ZINC000006115948
ZINC000006115949
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