Vitas-M small molecule compound

8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK699678
SMILES BrCCCSc1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c(=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 C16H16BrClN4O2S MW 443.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrClN4O2S/c1-21-13-12(14(23)20-15(21)24)22(16(19-13)25-8-4-7-17)9-10-5-2-3-6-11(10)18/h2-3,5-6H,4,7-9H2,1H3,(H,20,23,24)
InChIKey
QVWGZGWUFNAXLG-UHFFFAOYSA-N
Synonyms
370840-00-9
370840009
8((3bromopropyl)sulfanyl)7(2chlorobenzyl)3methyl37dihydro1Hpurine26dione
8((3bromopropyl)thio)7(2chlorobenzyl)3methyl1Hpurine26(3H7H)dione
8(3BROMOPROPYLSULFANYL)7((2CHLOROPHENYL)METHYL)3METHYLPURINE26DIONE
BrCCCSc1nc2c(n1Cc1ccccc1Cl)c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCBr)CC3=CC=CC=C3Cl
InChI=1SC16H16BrClN4O2Sc1211312(14(23)2015(21)24)22(16(1913)2584717)910523611(10)18h2356H479H21H3(H202324)
MFCD01051718
ZINC000012373956
ZINC12373956

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Available files

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