Vitas-M small molecule compound

1-(3-bromobenzyl)-8-chloro-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK697644
SMILES Brc1cccc(c1)Cn1c(=O)c2n(C)c(nc2n(c1=O)C)Cl

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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 C14H12BrClN4O2 MW 383.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12BrClN4O2/c1-18-10-11(17-13(18)16)19(2)14(22)20(12(10)21)7-8-4-3-5-9(15)6-8/h3-6H,7H2,1-2H3
InChIKey
GIFNEFRXIUPPAK-UHFFFAOYSA-N
Synonyms
374098-22-3
1((3BROMOPHENYL)METHYL)8CHLORANYL37DIMETHYLPURINE26DIONE
1((3BROMOPHENYL)METHYL)8CHLORO37DIMETHYLPURINE26DIONE
1(3bromobenzyl)8chloro37dimethyl1Hpurine26(3H7H)dione
1(3bromobenzyl)8chloro37dimethyl37dihydro1Hpurine26dione
1(3BROMOBENZYL)8CHLORO37DIMETHYLXANTHINE
374098223
CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CC3=CC(=CC=C3)Br)C
InChI=1SC14H12BrClN4O2c1181011(1713(18)16)19(2)14(22)20(12(10)21)784359(15)68h36H7H212H3
MFCD01952012
ZINC000001429716
ZINC01429716
ZINC1429716

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Available files

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