Vitas-M small molecule compound

6-[(3-bromobenzyl)sulfanyl]-9H-purine

Catalog ID
STK124184
SMILES Brc1cccc(c1)CSc1ncnc2c1nc[nH]2

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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 C12H9BrN4S MW 321.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9BrN4S/c13-9-3-1-2-8(4-9)5-18-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)
InChIKey
BROQYWHAFNQVOM-UHFFFAOYSA-N
Synonyms
724450-99-1
3BROMOBENZYL9HPURIN6YLSULFIDE
6((3BROMOBENZYL)SULFANYL)9HPURINE
6((3BROMOPHENYL)METHYLSULFANYL)7HPURINE
724450991
Brc1cccc(c1)CSc1ncnc2c1nc(nH)2
C1=CC(=CC(=C1)Br)CSC2=NC=NC3=C2NC=N3
InChI=1SC12H9BrN4Sc1393128(49)518121011(1561410)1671712h1467H5H2(H14151617)
MFCD04153246
ZINC000000386465
ZINC00386465
ZINC386465

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Available files

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