3-[[(6R,7S)-7-methoxy-5,5,8-trioxo-2-(pyrrolidine-1-carbonyl)-5λ6-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione

Modify Date: 2024-01-16 13:35:22

3-[[(6R,7S)-7-methoxy-5,5,8-trioxo-2-(pyrrolidine-1-carbonyl)-5λ6-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione structure	Common Name	3-[[(6R,7S)-7-methoxy-5,5,8-trioxo-2-(pyrrolidine-1-carbonyl)-5λ6-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione
	CAS Number	119742-06-2	Molecular Weight	471.50800
	Density	1.79g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₇H₂₁N₅O₇S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	3-[[(6R,7S)-7-methoxy-5,5,8-trioxo-2-(pyrrolidine-1-carbonyl)-5λ6-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione
Synonym	More Synonyms

Density	1.79g/cm3
Molecular Formula	C₁₇H₂₁N₅O₇S₂
Molecular Weight	471.50800
Exact Mass	471.08800
PSA	185.42000
Index of Refraction	1.785

Thiotriazinone structure

Thiotriazinone

CAS#:58909-39-0

N/A structure

N/A

CAS#:143731-84-4

~85%

3-[[(6R,7S)-7-methoxy-5,5,8-trioxo-2-(pyrrolidine-1-carbonyl)-5λ6-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione Structure

3-[[(6R,7S)-7-m...

CAS#:119742-06-2

Literature: Journal of Medicinal Chemistry, , vol. 35, # 21 p. 3731 - 3744

N/A structure

N/A

CAS#:95570-59-5

~%

3-[[(6R,7S)-7-methoxy-5,5,8-trioxo-2-(pyrrolidine-1-carbonyl)-5λ6-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione Structure

3-[[(6R,7S)-7-m...

CAS#:119742-06-2

Literature: Journal of Medicinal Chemistry, , vol. 35, # 21 p. 3731 - 3744

N/A structure

N/A

CAS#:128472-86-6

~%

3-[[(6R,7S)-7-methoxy-5,5,8-trioxo-2-(pyrrolidine-1-carbonyl)-5λ6-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione Structure

3-[[(6R,7S)-7-m...

CAS#:119742-06-2

Literature: Journal of Medicinal Chemistry, , vol. 35, # 21 p. 3731 - 3744

N/A structure

N/A

CAS#:95570-83-5

~%

3-[[(6R,7S)-7-methoxy-5,5,8-trioxo-2-(pyrrolidine-1-carbonyl)-5λ6-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione Structure

3-[[(6R,7S)-7-m...

CAS#:119742-06-2

Literature: Journal of Medicinal Chemistry, , vol. 35, # 21 p. 3731 - 3744

3-(hydroxymethyl)-7α-methoxy-8-oxo-2-(pyrrolidinocarbonyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene 5,5-dioxide structure

3-(hydroxymethy...

CAS#:143707-73-7

~%

3-[[(6R,7S)-7-methoxy-5,5,8-trioxo-2-(pyrrolidine-1-carbonyl)-5λ6-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione Structure

3-[[(6R,7S)-7-m...

CAS#:119742-06-2

Literature: Journal of Medicinal Chemistry, , vol. 35, # 21 p. 3731 - 3744

Precursor 1
CAS#:58909-39-0 Thiotriazinone
DownStream 0

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