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1H-pyrazole-4-carboxylic acid, 1-phenyl-5-[[[[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]acetyl]amino]-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-pyrazole-4-carboxylic acid, 1-phenyl-5-[[[[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID EPAdpVHqLvJ
InChI InChI=1S/C31H27N7O3S/c1-2-41-30(40)24-19-32-38(22-13-7-4-8-14-22)28(24)33-26(39)20-42-31-34-29-27(35-36-31)23-15-9-10-16-25(23)37(29)18-17-21-11-5-3-6-12-21/h3-16,19H,2,17-18,20H2,1H3,(H,33,39)
InChIKey PWRGXKRACQQSIS-UHFFFAOYSA-N
Mol Weight 577.66 g/mol
Molecular Formula C31H27N7O3S
Exact Mass 577.189609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2daiu9uy1e5
Name 5-[[2-[(5-phenethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H27N7O3S
InChI InChI=1S/C31H27N7O3S/c1-2-41-30(40)24-19-32-38(22-13-7-4-8-14-22)28(24)33-26(39)20-42-31-34-29-27(35-36-31)23-15-9-10-16-25(23)37(29)18-17-21-11-5-3-6-12-21/h3-16,19H,2,17-18,20H2,1H3,(H,33,39)
InChIKey PWRGXKRACQQSIS-UHFFFAOYSA-N
Molecular Weight 577.663 g/mol
SMILES N(c1c(cn[n]1-c1ccccc1)C(=O)OCC)C(=O)CSc1nc2[n](c3ccccc3c2nn1)CCc1ccccc1
SPLASH splash10-0002-4945000000-ac20fbde658b68700d11
Synonyms 5-[[1-oxo-2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]ethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester Ethyl 1-phenyl-5-[[2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetyl]amino]pyrazole-4-carboxylate
Wiley ID 1437084