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3-(4-amino-3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid

Catalog ID
STK533064
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(c(=O)n1N)CCC(=O)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C16H17N5O6S MW 407.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O6S/c17-21-15(25)10(2-4-14(23)24)19-20-16(21)28-8-13(22)18-9-1-3-11-12(7-9)27-6-5-26-11/h1,3,7H,2,4-6,8,17H2,(H,18,22)(H,23,24)
InChIKey
DADKPDSIRVHAMF-UHFFFAOYSA-N
Synonyms
381702-91-6
3(4AMINO3((2((23DIHYDROBENZO(B)(14)DIOXIN6YL)AMINO)2OXOETHYL)THIO)5OXO45DIHYDRO124TRIAZIN6YL)PROPANOICACID
3(4AMINO3((2(23DIHYDRO14BENZODIOXIN6YLAMINO)2KETOETHYL)THIO)5KETO124TRIAZIN6YL)PROPIONICACID
3(4amino3((2(23dihydro14benzodioxin6ylamino)2oxoethyl)sulfanyl)5oxo45dihydro124triazin6yl)propanoicacid
3(4AMINO3((2(23DIHYDRO14BENZODIOXIN6YLAMINO)2OXOETHYL)THIO)5OXO124TRIAZIN6YL)PROPANOICACID
3(4AMINO3((2(23DIHYDRO14BENZODIOXIN6YLAMINO)2OXOETHYL)THIO)5OXO45DIHYDRO124TRIAZIN6YL)PROPANOICACID
3(4AMINO3((N(2H3HBENZO(34E)14DIOXIN6YL)CARBAMOYL)METHYLTHIO)5OXO124TRIAZIN6YL)PROPANOICACID
3(4AMINO3(2(23DIHYDRO14BENZODIOXIN6YLAMINO)2OXOETHYL)SULFANYL5OXO124TRIAZIN6YL)PROPANOICACID
3(4AZANYL3(2(23DIHYDRO14BENZODIOXIN6YLAMINO)2OXIDANYLIDENEETHYL)SULFANYL5OXIDANYLIDENE124TRIAZIN6YL)PROPANOICACID
381702916
C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(C(=O)N3N)CCC(=O)O
InChI=1SC16H17N5O6Sc172115(25)10(2414(23)24)192016(21)28813(22)189131112(79)27652611h137H246817H2(H1822)(H2324)
MFCD02997117
ZINC000002305869
ZINC2305869

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Available files

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