Vitas-M small molecule compound

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

Catalog ID
STK852344
SMILES Cc1ccnc(n1)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 C18H23N7O2S MW 401.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N7O2S/c1-12-6-7-19-16(20-12)28-11-10-25-13-14(21-17(25)24-8-4-5-9-24)22(2)18(27)23(3)15(13)26/h6-7H,4-5,8-11H2,1-3H3
InChIKey
CFUHFCDXMYGROS-UHFFFAOYSA-N
Synonyms
838896-03-0
13dimethyl7(2((4methylpyrimidin2yl)sulfanyl)ethyl)8(pyrrolidin1yl)37dihydro1Hpurine26dione
13DIMETHYL7(2((4METHYLPYRIMIDIN2YL)THIO)ETHYL)8(PYRROLIDIN1YL)1HPURINE26(3H7H)DIONE
13DIMETHYL7(2(4METHYLPYRIMIDIN2YL)SULFANYLETHYL)8PYRROLIDIN1YLPURINE26DIONE
13DIMETHYL7(2(4METHYLPYRIMIDIN2YLTHIO)ETHYL)8PYRROLIDINYL137TRIHYDROPURINE26DIONE
838896030
CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCCC4)N(C(=O)N(C3=O)C)C
InChI=1SC18H23N7O2Sc112671916(2012)281110251314(2117(25)24845924)22(2)18(27)23(3)15(13)26h67H45811H213H3
MFCD04456924
ZINC000012647545
ZINC12647545

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Available files

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