Vitas-M small molecule compound
[(4-bromophenyl)sulfonyl]{3-[1-(3-methylbutyl)-1H-3,1-benzimidazol-3-ium-3-yl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}azanide
Catalog ID
STK553570
SMILES CC(CCn1c[n+](c2c1cccc2)C1=C([N-]S(=O)(=O)c2ccc(cc2)Br)C(=O)c2c(C1=O)cccc2)C
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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 C28H24BrN3O4S MW 578.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24BrN3O4S/c1-18(2)15-16-31-17-32(24-10-6-5-9-23(24)31)26-25(27(33)21-7-3-4-8-22(21)28(26)34)30-37(35,36)20-13-11-19(29)12-14-20/h3-14,17-18H,15-16H2,1-2H3InChIKey
OGHMHSNMXYZDLP-UHFFFAOYSA-NSynonyms
((4bromophenyl)sulfonyl)(3(1(3methylbutyl)1H31benzimidazol3ium3yl)14dioxo14dihydronaphthalen2yl)azanide
((4bromophenyl)sulfonyl)(3(1isopentyl1Hbenzo(d)imidazol3ium3yl)14dioxo14dihydronaphthalen2yl)amide
3(4BROMOPHENYL)SULFONYLIMINO2(3(3METHYLBUTYL)BENZIMIDAZOL3IUM1YL)4OXONAPHTHALEN1OLATE
CC(C)CC(N+)1=CN(C2=CC=CC=C21)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=C(C=C5)Br)(O)
CC(CCn1c(n+)(c2c1cccc2)C1=C((N)S(=O)(=O)c2ccc(cc2)Br)C(=O)c2c(C1=O)cccc2)C
InChI=1SC28H24BrN3O4Sc118(2)1516311732(241065923(24)31)2625(27(33)21734822(21)28(26)34)3037(3536)20131119(29)121420h3141718H1516H212H3
MFCD02985527
ZINC000001899236
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