Vitas-M small molecule compound
[(4-chlorophenyl)sulfonyl]{1,4-dioxo-3-[3-(propan-2-yl)-1H-imidazol-3-ium-1-yl]-1,4-dihydronaphthalen-2-yl}azanide
Catalog ID
STL147390
SMILES Clc1ccc(cc1)S(=O)(=O)[N-]C1=C(n2cc[n+](c2)C(C)C)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 C22H18ClN3O4S MW 455.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O4S/c1-14(2)25-11-12-26(13-25)20-19(21(27)17-5-3-4-6-18(17)22(20)28)24-31(29,30)16-9-7-15(23)8-10-16/h3-14H,1-2H3InChIKey
MABYNUXTDAOKNS-UHFFFAOYSA-NSynonyms
((4chlorophenyl)sulfonyl)(14dioxo3(3(propan2yl)1Himidazol3ium1yl)14dihydronaphthalen2yl)azanide
3(((4CHLOROPHENYL)SULFONYL)IMINO)4OXO2(3(PROPAN2YL)1HIMIDAZOL3IUM1YL)34DIHYDRONAPHTHALEN1OLATE
3(4CHLOROPHENYL)SULFONYLIMINO4OXO2(3PROPAN2YLIMIDAZOL3IUM1YL)NAPHTHALEN1OLATE
CC(C)(N+)1=CN(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=C(C=C4)Cl)(O)
Clc1ccc(cc1)S(=O)(=O)(N)C1=C(n2cc(n+)(c2)C(C)C)C(=O)c2c(C1=O)cccc2
InChI=1SC22H18ClN3O4Sc114(2)25111226(1325)2019(21(27)17534618(17)22(20)28)2431(2930)169715(23)81016h314H12H3
MFCD03813062
ZINC000013809761
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