Vitas-M small molecule compound
1,3-dimethyl-8-(3-methylpiperidin-1-yl)-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK847656
SMILES Cc1ccnc(n1)SCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCC(C1)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 C20H27N7O2S MW 429.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N7O2S/c1-13-6-5-9-26(12-13)19-23-16-15(17(28)25(4)20(29)24(16)3)27(19)10-11-30-18-21-8-7-14(2)22-18/h7-8,13H,5-6,9-12H2,1-4H3InChIKey
CIUPCALYWQUPSI-UHFFFAOYSA-NSynonyms
850914-57-713dimethyl8(3methylpiperidin1yl)7(2((4methylpyrimidin2yl)sulfanyl)ethyl)37dihydro1Hpurine26dione
13DIMETHYL8(3METHYLPIPERIDIN1YL)7(2((4METHYLPYRIMIDIN2YL)THIO)ETHYL)1HPURINE26(3H7H)DIONE
13DIMETHYL8(3METHYLPIPERIDIN1YL)7(2(4METHYLPYRIMIDIN2YL)SULFANYLETHYL)PURINE26DIONE
13DIMETHYL8(3METHYLPIPERIDYL)7(2(4METHYLPYRIMIDIN2YLTHIO)ETHYL)137TRIHYDROPURINE26DIONE
850914577
CC1CCCN(C1)C2=NC3=C(N2CCSC4=NC=CC(=N4)C)C(=O)N(C(=O)N3C)C
InChI=1SC20H27N7O2Sc11365926(1213)19231615(17(28)25(4)20(29)24(16)3)27(19)10113018218714(2)2218h7813H56912H214H3
MFCD04456929
ZINC000009124299
ZINC000009124300
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