Vitas-M small molecule compound
[3-(4-benzylpyridinium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl][(4-bromophenyl)sulfonyl]azanide
Catalog ID
STK545418
SMILES Brc1ccc(cc1)S(=O)(=O)[N-]C1=C([n+]2ccc(cc2)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 C28H19BrN2O4S MW 559.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19BrN2O4S/c29-21-10-12-22(13-11-21)36(34,35)30-25-26(28(33)24-9-5-4-8-23(24)27(25)32)31-16-14-20(15-17-31)18-19-6-2-1-3-7-19/h1-17H,18H2InChIKey
XYMXTQZLUQPGPC-UHFFFAOYSA-NSynonyms
(3(4benzylpyridin1ium1yl)14dioxo14dihydronaphthalen2yl)((4bromophenyl)sulfonyl)amide
(3(4benzylpyridinium1yl)14dioxo14dihydronaphthalen2yl)((4bromophenyl)sulfonyl)azanide
(3Z)2(4benzylpyridin1ium1yl)3(4bromophenyl)sulfonylimino4oxonaphthalen1olate
2(4BENZYLPYRIDIN1IUM1YL)3(4BROMOPHENYL)SULFONYLIMINO4OXONAPHTHALEN1OLATE
2(4BENZYLPYRIDINIUM1YL)3(((4BROMOPHENYL)SULFONYL)IMINO)4OXO34DIHYDRONAPHTHALEN1OLATE
Brc1ccc(cc1)S(=O)(=O)(N)C1=C((n+)2ccc(cc2)Cc2ccccc2)C(=O)c2c(C1=O)cccc2
C1=CC=C(C=C1)CC2=CC=(N+)(C=C2)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=C(C=C5)Br)(O)
InChI=1SC28H19BrN2O4Sc2921101222(131121)36(3435)302526(28(33)24954823(24)27(25)32)31161420(151731)18196213719h117H18H2
MFCD02985997
ZINC000001873303
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