Vitas-M small molecule compound

8-(benzylamino)-1-(4-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL296060
SMILES Clc1ccc(cc1)Cn1c(=O)c2n(C)c(nc2n(c1=O)C)NCc1ccccc1

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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 C21H20ClN5O2 MW 409.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O2/c1-25-17-18(24-20(25)23-12-14-6-4-3-5-7-14)26(2)21(29)27(19(17)28)13-15-8-10-16(22)11-9-15/h3-11H,12-13H2,1-2H3,(H,23,24)
InChIKey
LQDLWGSOEJSYOC-UHFFFAOYSA-N
Synonyms
368838-79-3
368838793
8(BENZYLAMINO)1((4CHLOROPHENYL)METHYL)37DIMETHYLPURINE26DIONE
8(BENZYLAMINO)1(4CHLOROBENZYL)37DIMETHYL1HPURINE26(3H7H)DIONE
8(benzylamino)1(4chlorobenzyl)37dimethyl37dihydro1Hpurine26dione
CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C
InChI=1SC21H20ClN5O2c1251718(2420(25)2312146435714)26(2)21(29)27(19(17)28)131581016(22)11915h311H1213H212H3(H2324)
MFCD01554362
ZINC000013512504
ZINC13512504

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Available files

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