Vitas-M small molecule compound
[3-(3-benzyl-1H-imidazol-3-ium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl][(4-methylphenyl)sulfonyl]azanide
Catalog ID
STL147461
SMILES Cc1ccc(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 C27H21N3O4S MW 483.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O4S/c1-19-11-13-21(14-12-19)35(33,34)28-24-25(27(32)23-10-6-5-9-22(23)26(24)31)30-16-15-29(18-30)17-20-7-3-2-4-8-20/h2-16,18H,17H2,1H3InChIKey
WSIUAOGSFRZZHX-UHFFFAOYSA-NSynonyms
(3(3benzyl1Himidazol3ium1yl)14dioxo14dihydronaphthalen2yl)((4methylphenyl)sulfonyl)azanide
2(3BENZYL1HIMIDAZOL3IUM1YL)3(((4METHYLPHENYL)SULFONYL)IMINO)4OXO34DIHYDRONAPHTHALEN1OLATE
2(3BENZYLIMIDAZOL3IUM1YL)3(4METHYLPHENYL)SULFONYLIMINO4OXONAPHTHALEN1OLATE
CC1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(C3=CC=CC=C3C2=O)(O))N4C=C(N+)(=C4)CC5=CC=CC=C5
Cc1ccc(cc1)S(=O)(=O)(N)C1=C(n2cc(n+)(c2)Cc2ccccc2)C(=O)c2c(C1=O)cccc2
InChI=1SC27H21N3O4Sc119111321(141219)35(3334)282425(27(32)231065922(23)26(24)31)30161529(1830)17207324820h21618H17H21H3
MFCD03818457
ZINC000013810171
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