Methyl 2-[(11,13-dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl)sulfanyl]benzoate

Catalog No. :: ACYFQH697
CAS No. :: 439110-64-2
Molecular Formula :: C27H23N3O2S3
Molecular Weight :: 517.70

IUPAC Name:methyl 2-((7,9-dimethyl-2-((4-methylbenzyl)thio)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)thio)benzoate

Methyl 2-[(11,13-dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl)sulfanyl]benzoate structure diagram

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Product Name	Methyl 2-[(11,13-dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl)sulfanyl]benzoate
IUPAC Name	methyl 2-((7,9-dimethyl-2-((4-methylbenzyl)thio)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)thio)benzoate
Molecular Formula	C27H23N3O2S3
Molecular Weight	517.70
SMILES	O=C(OC)C1=CC=CC=C1SC2=C3C(C4=C(C)C=C(C)N=C4S3)=NC(SCC5=CC=C(C)C=C5)=N2
InChI Key	WJTRVJNULHHURH-UHFFFAOYSA-N
Synonym	METHYL 2-((7,9-DIMETHYL-2-[(4-METHYLBENZYL)SULFANYL]PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL)SULFANYL)BENZENECARBOXYLATE;methyl 2-[(11,13-dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl)sulfanyl]benzoate;Benzoic acid, 2-[[7,9-dimethyl-2-[[(4-methylphenyl)methyl]thio]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl]thio]-, methyl ester
CAS No.	439110-64-2

Safety Data

Pictogram
Signal Word: Achtung
Hazard Statement(s): H302-H315-H319-H335
Precautionary Statement(s): P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501

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Methyl 2-[(11,13-dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl)sulfanyl]benzoate

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1. ACYFQH697 Molecular Building Block Synthetic Route

2. ACYFQH697 Molecular Building Block Synthetic Route

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Methyl 2-[(11,13-dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl)sulfanyl]benzoate

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Synthetic Route by SureRoute

11,13-Dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-6-[(4-methylphenyl)sulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene

11,13-Dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-6-(phenylsulfanyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene

4-{[(4-chlorophenyl)methyl]sulfanyl}-6-[(4-fluorophenyl)sulfanyl]-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene

4-(Ethylsulfanyl)-11,13-dimethyl-6-(phenylsulfanyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene

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