Vitas-M small molecule compound

1-(4-bromophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethanone

Catalog ID
STK947552
SMILES Brc1ccc(cc1)C(=O)CSc1nc(O)c2c(n1)[nH]cn2

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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 C13H9BrN4O2S MW 365.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9BrN4O2S/c14-8-3-1-7(2-4-8)9(19)5-21-13-17-11-10(12(20)18-13)15-6-16-11/h1-4,6H,5H2,(H2,15,16,17,18,20)
InChIKey
SRTBLMNCVNVSNX-UHFFFAOYSA-N
Synonyms

1(4bromophenyl)2((6hydroxy9Hpurin2yl)sulfanyl)ethanone
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL37DIHYDROPURIN6ONE
Brc1ccc(cc1)C(=O)CSc1nc(O)c2c(n1)(nH)cn2
C1=CC(=CC=C1C(=O)CSC2=NC(=O)C3=C(N2)N=CN3)Br
InChI=1SC13H9BrN4O2Sc148317(248)9(19)52113171110(12(20)1813)1561611h146H5H2(H21516171820)
MFCD10474253
ZINC000010003330
ZINC10003330

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Available files

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