Vitas-M small molecule compound

7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK527196
SMILES CCCSc1nc2c(n1Cc1cccc(c1)Br)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 C16H17BrN4O2S MW 409.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN4O2S/c1-3-7-24-16-18-13-12(14(22)19-15(23)20(13)2)21(16)9-10-5-4-6-11(17)8-10/h4-6,8H,3,7,9H2,1-2H3,(H,19,22,23)
InChIKey
FQHAZCIKZQIWAD-UHFFFAOYSA-N
Synonyms
313274-04-3
313274043
7((3BROMOPHENYL)METHYL)3METHYL8PROPYLSULFANYLPURINE26DIONE
7(3bromobenzyl)3methyl8(propylsulfanyl)37dihydro1Hpurine26dione
7(3bromobenzyl)3methyl8(propylthio)1Hpurine26(3H7H)dione
CCCSC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C
CCCSc1nc2c(n1Cc1cccc(c1)Br)c(=O)(nH)c(=O)n2C
InChI=1SC16H17BrN4O2Sc1372416181312(14(22)1915(23)20(13)2)21(16)91054611(17)810h468H379H212H3(H192223)
MFCD01558053
ZINC000013739486
ZINC13739486

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Available files

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