Vitas-M small molecule compound

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

Catalog ID
STL339067
SMILES Brc1cccc(c1)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)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 C18H20BrN5O2 MW 418.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20BrN5O2/c1-21-14-15(20-17(21)23-8-3-4-9-23)22(2)18(26)24(16(14)25)11-12-6-5-7-13(19)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKey
BHJGKSSGBIMTIE-UHFFFAOYSA-N
Synonyms
840497-45-2
1((3BROMOPHENYL)METHYL)37DIMETHYL8PYRROLIDIN1YLPURINE26DIONE
1(3bromobenzyl)37dimethyl8(pyrrolidin1yl)1Hpurine26(3H7H)dione
1(3bromobenzyl)37dimethyl8(pyrrolidin1yl)37dihydro1Hpurine26dione
1(3BROMOBENZYL)37DIMETHYL8PYRROLIDIN1YL37DIHYDRO1HPURINE26DIONE
840497452
CN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Br)C
InChI=1SC18H20BrN5O2c1211415(2017(21)23834923)22(2)18(26)24(16(14)25)111265713(19)1012h5710H348911H212H3
MFCD04008396
ZINC000005054366
ZINC05054366
ZINC5054366

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Available files

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