Vitas-M small molecule compound
N-[3,5-dimethyl-1-(pentafluorobenzyl)-1H-pyrazol-4-yl]-4-nitrobenzenesulfonamide
Catalog ID
STK454244
SMILES Cc1nn(c(c1NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C)Cc1c(F)c(F)c(c(c1F)F)F
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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 C18H13F5N4O4S MW 476.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13F5N4O4S/c1-8-18(25-32(30,31)11-5-3-10(4-6-11)27(28)29)9(2)26(24-8)7-12-13(19)15(21)17(23)16(22)14(12)20/h3-6,25H,7H2,1-2H3InChIKey
AKQSSGRCZRSKAO-UHFFFAOYSA-NSynonyms
CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NS(=O)(=O)C3=CC=C(C=C3)(N+)(=O)(O)
Cc1nn(c(c1NS(=O)(=O)c1ccc(cc1)(N+)(=O)(O))C)Cc1c(F)c(F)c(c(c1F)F)F
InChI=1SC18H13F5N4O4Sc1818(2532(3031)115310(4611)27(28)29)9(2)26(248)71213(19)15(21)17(23)16(22)14(12)20h3625H7H212H3
MFCD04226900
N(35dimethyl1((23456pentafluorophenyl)methyl)pyrazol4yl)4nitrobenzenesulfonamide
N(35dimethyl1(pentafluorobenzyl)1Hpyrazol4yl)4nitrobenzenesulfonamide
ZINC000020294313
ZINC20294313
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