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2-{([(2E)-2-(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-(4-chlorophenyl)-4-oxobutanoyl]amino}-5-(3,4,5-trimethoxybenzyl)-4-aminopyrimidine

View entire compound with spectra: 1 MS (GC)

2-{([(2E)-2-(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-(4-chlorophenyl)-4-oxobutanoyl]amino}-5-(3,4,5-trimethoxybenzyl)-4-aminopyrimidine
SpectraBase Compound ID Biv4O0EWRTT
InChI InChI=1S/C34H30ClN5O7/c1-18(41)40-25-8-6-5-7-23(25)29(33(40)44)24(16-26(42)20-9-11-22(35)12-10-20)32(43)39-34-37-17-21(31(36)38-34)13-19-14-27(45-2)30(47-4)28(15-19)46-3/h5-12,14-15,17H,13,16H2,1-4H3,(H3,36,37,38,39,43)/b29-24+
InChIKey ZPHQHBMAXABGKA-RMLRFSFXSA-N
Mol Weight 656.1 g/mol
Molecular Formula C34H30ClN5O7
Exact Mass 655.183376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvfHXrCflpH
Name 2-{([(2E)-2-(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-(4-chlorophenyl)-4-oxobutanoyl]amino}-5-(3,4,5-trimethoxybenzyl)-4-aminopyrimidine
Appearance Brown crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H30ClN5O7
InChI InChI=1S/C34H30ClN5O7/c1-18(41)40-25-8-6-5-7-23(25)29(33(40)44)24(16-26(42)20-9-11-22(35)12-10-20)32(43)39-34-37-17-21(31(36)38-34)13-19-14-27(45-2)30(47-4)28(15-19)46-3/h5-12,14-15,17H,13,16H2,1-4H3,(H3,36,37,38,39,43)/b29-24+
InChIKey ZPHQHBMAXABGKA-RMLRFSFXSA-N
Instrument Name VG Trio-2 or Gc/Ms-QPL000EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.a19
Molecular Weight 656.095 g/mol
SMILES N(C(\C(=C\1C(N(c2c1cccc2)C(C)=O)=O)CC(=O)c1ccc(cc1)Cl)=O)c1ncc(c(n1)N)Cc1cc(OC)c(OC)c(OC)c1
SPLASH splash10-03fr-8902000000-407e74dfdf551383ae16
Source of Spectrum ARK-2006-167-5d
Wiley ID 1871135