Vitas-M small molecule compound

1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK004839
SMILES Clc1ccc(cc1Cl)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)N1CCCCC1

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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 C19H21Cl2N5O2 MW 422.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21Cl2N5O2/c1-23-15-16(22-18(23)25-8-4-3-5-9-25)24(2)19(28)26(17(15)27)11-12-6-7-13(20)14(21)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKey
ZRNHQZVUFGYKQN-UHFFFAOYSA-N
Synonyms
305862-99-1
1((34DICHLOROPHENYL)METHYL)37DIMETHYL8PIPERIDIN1YLPURINE26DIONE
1(34dichlorobenzyl)37dimethyl8(piperidin1yl)1Hpurine26(3H7H)dione
1(34DICHLOROBENZYL)37DIMETHYL8(PIPERIDIN1YL)37DIHYDRO1HPURINE26DIONE
305862991
Clc1ccc(cc1Cl)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)N1CCCCC1
CN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C
InChI=1SC19H21Cl2N5O2c1231516(2218(23)258435925)24(2)19(28)26(17(15)27)11126713(20)14(21)1012h6710H358911H212H3
MFCD01237436
STK004839
ZINC000008916385
ZINC08916385
ZINC8916385

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.