Vitas-M small molecule compound
[(4-chlorophenyl)sulfonyl]{1,4-dioxo-3-[3-(prop-2-en-1-yl)-1H-imidazol-3-ium-1-yl]-1,4-dihydronaphthalen-2-yl}azanide
Catalog ID
STK565613
SMILES C=CC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(cc2)Cl)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 C22H16ClN3O4S MW 453.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O4S/c1-2-11-25-12-13-26(14-25)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/h2-10,12-14H,1,11H2InChIKey
RTTYLJCIUVFHKV-UHFFFAOYSA-NSynonyms
((4chlorophenyl)sulfonyl)(14dioxo3(3(prop2en1yl)1Himidazol3ium1yl)14dihydronaphthalen2yl)azanide
(3Z)3(4chlorophenyl)sulfonylimino4oxo2(3prop2enylimidazol3ium1yl)naphthalen1olate
3(((4CHLOROPHENYL)SULFONYL)IMINO)4OXO2(3(PROP2EN1YL)1HIMIDAZOL3IUM1YL)34DIHYDRONAPHTHALEN1OLATE
3(4CHLOROPHENYL)SULFONYLIMINO4OXO2(3PROP2ENYLIMIDAZOL3IUM1YL)NAPHTHALEN1OLATE
C=CC(N+)1=CN(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=C(C=C4)Cl)(O)
C=CC(n+)1ccn(c1)C1=C((N)S(=O)(=O)c2ccc(cc2)Cl)C(=O)c2c(C1=O)cccc2
InChI=1SC22H16ClN3O4Sc121125121326(1425)2019(21(27)17534618(17)22(20)28)2431(2930)169715(23)81016h2101214H111H2
MFCD03793750
ZINC000013785871
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