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4-Amino-8-((2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)diazenyl)-7-methyl-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (N-[4-(aminosulfonyl)phenyl])-amide
SpectraBase Compound ID MjnB0jvK31
InChI InChI=1S/C24H23N11O4S/c1-13-18(28-29-19-14(2)33(3)35(24(19)37)16-7-5-4-6-8-16)22-31-30-20(21(25)34(22)32-13)23(36)27-15-9-11-17(12-10-15)40(26,38)39/h4-12H,25H2,1-3H3,(H,27,36)(H2,26,38,39)
InChIKey MHGYOBRUHGSICT-UHFFFAOYSA-N
Mol Weight 561.58 g/mol
Molecular Formula C24H23N11O4S
Exact Mass 561.165519 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53v30P6XWS
Name 4-Amino-8-((2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)diazenyl)-7-methyl-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (N-[4-(aminosulfonyl)phenyl])-amide
Appearance Scarlet-red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23N11O4S
InChI InChI=1S/C24H23N11O4S/c1-13-18(28-29-19-14(2)33(3)35(24(19)37)16-7-5-4-6-8-16)22-31-30-20(21(25)34(22)32-13)23(36)27-15-9-11-17(12-10-15)40(26,38)39/h4-12H,25H2,1-3H3,(H,27,36)(H2,26,38,39)
InChIKey MHGYOBRUHGSICT-UHFFFAOYSA-N
Instrument Name JEOL-JMS 600
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2576
Molecular Weight 561.581 g/mol
SMILES N(c1ccc(S(N)(=O)=O)cc1)C(C1=C([n]2c(N=N1)c(c(n2)C)N=NC1=C(N(N(C1=O)c1ccccc1)C)C)N)=O
SPLASH splash10-00dj-9000000000-1a40b43906f039dfcf36
Source of Spectrum Y-54-275-41
Wiley ID 1877811