Vitas-M small molecule compound

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

Catalog ID
STK849390
SMILES Cc1ccnc(n1)SCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CC(C)CC(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 C21H29N7O2S MW 443.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N7O2S/c1-13-10-14(2)12-27(11-13)20-24-17-16(18(29)26(5)21(30)25(17)4)28(20)8-9-31-19-22-7-6-15(3)23-19/h6-7,13-14H,8-12H2,1-5H3
InChIKey
JDZMJVUQIWGCKI-UHFFFAOYSA-N
Synonyms
850914-66-8
8(35dimethylpiperidin1yl)13dimethyl7(2((4methylpyrimidin2yl)sulfanyl)ethyl)37dihydro1Hpurine26dione
8(35DIMETHYLPIPERIDIN1YL)13DIMETHYL7(2((4METHYLPYRIMIDIN2YL)THIO)ETHYL)1HPURINE26(3H7H)DIONE
8(35DIMETHYLPIPERIDIN1YL)13DIMETHYL7(2(4METHYLPYRIMIDIN2YL)SULFANYLETHYL)PURINE26DIONE
8(35DIMETHYLPIPERIDYL)13DIMETHYL7(2(4METHYLPYRIMIDIN2YLTHIO)ETHYL)137TRIHYDROPURINE26DIONE
850914668
CC1CC(CN(C1)C2=NC3=C(N2CCSC4=NC=CC(=N4)C)C(=O)N(C(=O)N3C)C)C
InChI=1SC21H29N7O2Sc1131014(2)1227(1113)20241716(18(29)26(5)21(30)25(17)4)28(20)893119227615(3)2319h671314H812H215H3
MFCD04456939
ZINC000002430846
ZINC000018205288

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Available files

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