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2-[7-(4-bromo-benzylidene)-3-(4-bromo-phenyl)-3,3a,4,5,6,7-hexahydro-indazol-2-yl]-4-methyl-thiazole-5-carboxylic acid dimethylamide

View entire compound with spectra: 1 MS (GC)

2-[7-(4-bromo-benzylidene)-3-(4-bromo-phenyl)-3,3a,4,5,6,7-hexahydro-indazol-2-yl]-4-methyl-thiazole-5-carboxylic acid dimethylamide
SpectraBase Compound ID 6Dn1kC9AEyn
InChI InChI=1S/C27H26Br2N4OS/c1-16-25(26(34)32(2)3)35-27(30-16)33-24(18-9-13-21(29)14-10-18)22-6-4-5-19(23(22)31-33)15-17-7-11-20(28)12-8-17/h7-15,22,24H,4-6H2,1-3H3/b19-15+
InChIKey LOGLBVNLITZWLU-XDJHFCHBSA-N
Mol Weight 614.4 g/mol
Molecular Formula C27H26Br2N4OS
Exact Mass 612.019409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jd6d7LGU4Jb
Name 2-[7-(4-bromo-benzylidene)-3-(4-bromo-phenyl)-3,3a,4,5,6,7-hexahydro-indazol-2-yl]-4-methyl-thiazole-5-carboxylic acid dimethylamide
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Formula C27H26Br2N4OS
InChI InChI=1S/C27H26Br2N4OS/c1-16-25(26(34)32(2)3)35-27(30-16)33-24(18-9-13-21(29)14-10-18)22-6-4-5-19(23(22)31-33)15-17-7-11-20(28)12-8-17/h7-15,22,24H,4-6H2,1-3H3/b19-15+
InChIKey LOGLBVNLITZWLU-XDJHFCHBSA-N
Molecular Weight 614.400 g/mol
SMILES c1(ccc(cc1)Br)\C=C\1C=2C(CCC1)C(c1ccc(cc1)Br)N(c1sc(c(n1)C)C(N(C)C)=O)N2
SPLASH splash10-014i-2910000000-82668f684ada3449fec3
Synonyms 2-[(7E)-7-(4-bromobenzylidene)-3-(4-bromophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide 2-[7-(4-bromobenzylidene)-3-(4-bromophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
Wiley ID 1463811