Vitas-M small molecule compound

8-(azepan-1-yl)-1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL006522
SMILES Cc1nnc(s1)SCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCCC1

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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 C18H25N7O2S2 MW 435.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N7O2S2/c1-12-20-21-17(29-12)28-11-10-25-13-14(22(2)18(27)23(3)15(13)26)19-16(25)24-8-6-4-5-7-9-24/h4-11H2,1-3H3
InChIKey
NIWRXFOVBACSPW-UHFFFAOYSA-N
Synonyms
685860-78-0
685860780
8(azepan1yl)13dimethyl7(2((5methyl134thiadiazol2yl)sulfanyl)ethyl)37dihydro1Hpurine26dione
8(AZEPAN1YL)13DIMETHYL7(2((5METHYL134THIADIAZOL2YL)SULFANYL)ETHYL)PURINE26DIONE
8(AZEPAN1YL)13DIMETHYL7(2((5METHYL134THIADIAZOL2YL)THIO)ETHYL)1HPURINE26(3H7H)DIONE
8AZAPERHYDROEPINYL13DIMETHYL7(2(5METHYL(134THIADIAZOL2YLTHIO))ETHYL)137TRIHYDROPURINE26DIONE
CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCCCCC4)N(C(=O)N(C3=O)C)C
InChI=1SC18H25N7O2S2c112202117(2912)281110251314(22(2)18(27)23(3)15(13)26)1916(25)2486457924h411H213H3
MFCD04177228
ZINC000000812629
ZINC00812629
ZINC812629

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Available files

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