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6-Bromo-2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-5-methoxy-1-phenyl-3-indolecarboxylic acid ethyl ester
SpectraBase Compound ID FwPc5gj1a0J
InChI InChI=1S/C25H24BrN3O3S/c1-5-32-24(30)23-18-12-22(31-4)19(26)13-20(18)29(17-9-7-6-8-10-17)21(23)14-33-25-27-15(2)11-16(3)28-25/h6-13H,5,14H2,1-4H3
InChIKey JBNLWXFBMATWJL-UHFFFAOYSA-N
Mol Weight 526.45 g/mol
Molecular Formula C25H24BrN3O3S
Exact Mass 525.072176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzEDd2rzoTv
Name 6-Bromo-2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-5-methoxy-1-phenyl-3-indolecarboxylic acid ethyl ester
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Formula C25H24BrN3O3S
InChI InChI=1S/C25H24BrN3O3S/c1-5-32-24(30)23-18-12-22(31-4)19(26)13-20(18)29(17-9-7-6-8-10-17)21(23)14-33-25-27-15(2)11-16(3)28-25/h6-13H,5,14H2,1-4H3
InChIKey JBNLWXFBMATWJL-UHFFFAOYSA-N
Molecular Weight 526.449 g/mol
SMILES c12cc(c(cc2c(c([n]1-c1ccccc1)CSc1nc(cc(n1)C)C)C(OCC)=O)OC)Br
SPLASH splash10-001c-6798310000-aa885e885193aca47e5a
Synonyms 6-Bromo-2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-5-methoxy-1-phenyl-indole-3-carboxylic acid ethyl ester Ethyl 6-bromanyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-1-phenyl-indole-3-carboxylate Ethyl 6-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-1-phenyl-indole-3-carboxylate
Wiley ID 1445308