Vitas-M small molecule compound

2-(2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)-4-(methylsulfanyl)butanoic acid

Catalog ID
STK661579
SMILES CSCCC(N1C(=O)NC2C1NC(=O)N2)C(=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 C9H14N4O4S MW 274.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H14N4O4S/c1-18-3-2-4(7(14)15)13-6-5(11-9(13)17)10-8(16)12-6/h4-6H,2-3H2,1H3,(H,11,17)(H,14,15)(H2,10,12,16)
InChIKey
ZIJZHICDZSWHSK-UHFFFAOYSA-N
Synonyms
436811-14-2
(2R)2((3AR6AS)25DIOXOHEXAHYDROIMIDAZO(45D)IMIDAZOL1(2H)YL)4(METHYLSULFANYL)BUTANOICACID
2((3aS6aR)25dioxohexahydroimidazo(45d)imidazol1(2H)yl)4(methylthio)butanoicacid
2(25DIOXO33A66ATETRAHYDRO1HIMIDAZO(45D)IMIDAZOL4YL)4METHYLSULFANYLBUTANOICACID
2(25dioxohexahydroimidazo(45d)imidazol1(2H)yl)4(methylsulfanyl)butanoicacid
2(25DIOXOHEXAHYDROIMIDAZO(45D)IMIDAZOL1(2H)YL)4(METHYLTHIO)BUTANOICACID
2(25DIOXOHEXAHYDROIMIDAZO(45D)IMIDAZOL1YL)4METHYLSULFANYLBUTYRICACID
2(25DIOXOTETRAHYDRO3HIMIDAZO(45D)IMIDAZOLIDIN1YL)4(METHYLSULFANYL)BUTANOICACID
24METHYLSULFANYLBUTYRICACID
436811142
CSCCC(C(=O)O)N1C2C(NC(=O)N2)NC1=O
CSCCC(N1C(=O)N(C@H)2(C@@H)1NC(=O)N2)C(=O)O
InChI=1SC9H14N4O4Sc118324(7(14)15)1365(119(13)17)108(16)126h46H23H21H3(H1117)(H1415)(H2101216)
MFCD02127402
ZINC000001822225
ZINC000013424784

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.