Vitas-M small molecule compound
7-benzyl-1,3-dimethyl-8-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL388672
SMILES O=C(N1CCCCC1)CSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C
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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 C21H25N5O3S MW 427.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O3S/c1-23-18-17(19(28)24(2)21(23)29)26(13-15-9-5-3-6-10-15)20(22-18)30-14-16(27)25-11-7-4-8-12-25/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3InChIKey
BCVGISUIGGVGJH-UHFFFAOYSA-NSynonyms
7benzyl13dimethyl8((2oxo2(piperidin1yl)ethyl)sulfanyl)37dihydro1Hpurine26dione
7BENZYL13DIMETHYL8(2OXO2PIPERIDIN1YLETHYL)SULFANYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCCCC3)CC4=CC=CC=C4
InChI=1SC21H25N5O3Sc1231817(19(28)24(2)21(23)29)26(131595361015)20(2218)301416(27)25117481225h356910H4781114H212H3
MFCD03126369
ZINC000008934945
ZINC08934945
ZINC8934945
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