Vitas-M small molecule compound

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

Catalog ID
STK554769
SMILES Clc1ccc(cc1)Cn1c(SCCN2CCCCC2)nc2c1c(=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 C21H26ClN5O2S MW 447.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClN5O2S/c1-24-18-17(19(28)25(2)21(24)29)27(14-15-6-8-16(22)9-7-15)20(23-18)30-13-12-26-10-4-3-5-11-26/h6-9H,3-5,10-14H2,1-2H3
InChIKey
JITKPWYHHRRNRD-UHFFFAOYSA-N
Synonyms
536719-40-1
536719401
7((4CHLOROPHENYL)METHYL)13DIMETHYL8(2PIPERIDIN1YLETHYLSULFANYL)PURINE26DIONE
7(4chlorobenzyl)13dimethyl8((2(piperidin1yl)ethyl)sulfanyl)37dihydro1Hpurine26dione
7(4CHLOROBENZYL)13DIMETHYL8((2(PIPERIDIN1YL)ETHYL)THIO)1HPURINE26(3H7H)DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCN3CCCCC3)CC4=CC=C(C=C4)Cl
InChI=1SC21H26ClN5O2Sc1241817(19(28)25(2)21(24)29)27(14156816(22)9715)20(2318)30131226104351126h69H351014H212H3
MFCD03417534
ZINC000000634912
ZINC634912

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Available files

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