Vitas-M small molecule compound
1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK848150
SMILES Cc1nnc(s1)SCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCC1
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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 C16H21N7O2S2 MW 407.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N7O2S2/c1-10-18-19-15(27-10)26-9-8-23-11-12(17-14(23)22-6-4-5-7-22)20(2)16(25)21(3)13(11)24/h4-9H2,1-3H3InChIKey
NKTIZSJFUMNGIL-UHFFFAOYSA-NSynonyms
850914-52-213dimethyl7(2((5methyl134thiadiazol2yl)sulfanyl)ethyl)8(pyrrolidin1yl)37dihydro1Hpurine26dione
13DIMETHYL7(2((5METHYL134THIADIAZOL2YL)SULFANYL)ETHYL)8PYRROLIDIN1YLPURINE26DIONE
13DIMETHYL7(2((5METHYL134THIADIAZOL2YL)THIO)ETHYL)8(PYRROLIDIN1YL)1HPURINE26(3H7H)DIONE
13DIMETHYL7(2(5METHYL(134THIADIAZOL2YLTHIO))ETHYL)8PYRROLIDINYL137TRIHYDROPURINE26DIONE
850914522
CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCCC4)N(C(=O)N(C3=O)C)C
InChI=1SC16H21N7O2S2c110181915(2710)2698231112(1714(23)22645722)20(2)16(25)21(3)13(11)24h49H213H3
MFCD04456923
ZINC000009124640
ZINC09124640
ZINC9124640
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