Vitas-M small molecule compound
{[4-(acetylamino)phenyl]sulfonyl}{3-[3-(3-methylbutyl)-1H-imidazol-3-ium-1-yl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}azanide
Catalog ID
STL047493
SMILES CC(CC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(cc2)NC(=O)C)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 C26H26N4O5S MW 506.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O5S/c1-17(2)12-13-29-14-15-30(16-29)24-23(25(32)21-6-4-5-7-22(21)26(24)33)28-36(34,35)20-10-8-19(9-11-20)27-18(3)31/h4-11,14-17H,12-13H2,1-3H3,(H-,27,28,31,33)InChIKey
AZGHPNJTZYSQQZ-UHFFFAOYSA-NSynonyms
1262982-02-4((4(acetylamino)phenyl)sulfonyl)(3(3(3methylbutyl)1Himidazol3ium1yl)14dioxo14dihydronaphthalen2yl)azanide
1262982024
3(4ACETAMIDOPHENYL)SULFONYLIMINO2(3(3METHYLBUTYL)IMIDAZOL3IUM1YL)4OXONAPHTHALEN1OLATE
CC(C)CC(N+)1=CN(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C)(O)
CC(CC(n+)1ccn(c1)C1=C((N)S(=O)(=O)c2ccc(cc2)NC(=O)C)C(=O)c2c(C1=O)cccc2)C
InChI=1SC26H26N4O5Sc117(2)121329141530(1629)2423(25(32)21645722(21)26(24)33)2836(3435)2010819(91120)2718(3)31h4111417H1213H213H3(H27283133)
MFCD03800264
ZINC000013583356
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