Vitas-M small molecule compound

7-(3-bromobenzyl)-6-hydroxy-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one

Catalog ID
STL055629
SMILES Brc1cccc(c1)Cn1c(NCCCn2cncc2)nc2c1c(O)nc(=O)n2C

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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 C19H20BrN7O2 MW 458.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20BrN7O2/c1-25-16-15(17(28)24-19(25)29)27(11-13-4-2-5-14(20)10-13)18(23-16)22-6-3-8-26-9-7-21-12-26/h2,4-5,7,9-10,12H,3,6,8,11H2,1H3,(H,22,23)(H,24,28,29)
InChIKey
YYVSVNOLFFJYOH-UHFFFAOYSA-N
Synonyms
476481-02-4
476481024
7((3BROMOPHENYL)METHYL)8(3(1IMIDAZOLYL)PROPYLAMINO)3METHYLPURINE26DIONE
7((3BROMOPHENYL)METHYL)8(3IMIDAZOL1YLPROPYLAMINO)3METHYLPURINE26DIONE
7(3bromobenzyl)6hydroxy8((3(1Himidazol1yl)propyl)amino)3methyl37dihydro2Hpurin2one
7(3BROMOBENZYL)8(3IMIDAZOL1YLPROPYLAMINO)3METHYLXANTHINE
8((3(1HIMIDAZOL1YL)PROPYL)AMINO)7(3BROMOBENZYL)3METHYL1HPURINE26(3H7H)DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CC4=CC(=CC=C4)Br
InChI=1SC19H20BrN7O2c1251615(17(28)2419(25)29)27(111342514(20)1013)18(2316)226382697211226h245791012H36811H21H3(H2223)(H242829)
MFCD05730314
ZINC000001876367
ZINC1876367

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Available files

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