Vitas-M small molecule compound
7-(3-bromobenzyl)-3-methyl-8-(prop-2-en-1-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK074242
SMILES C=CCSc1nc2c(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 C16H15BrN4O2S MW 407.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN4O2S/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/h3-6,8H,1,7,9H2,2H3,(H,19,22,23)InChIKey
QKUFHGJIYFSIIL-UHFFFAOYSA-NSynonyms
326919-11-3326919113
7((3BROMOPHENYL)METHYL)3METHYL8PROP2ENYLSULFANYLPURINE26DIONE
7((3BROMOPHENYL)METHYL)3METHYL8PROP2ENYLTHIO137TRIHYDROPURINE26DIONE
7(3BROMOBENZYL)3METHYL8(PROP2EN1YLSULFANYL)37DIHYDRO1HPURINE26DIONE
8(ALLYLSULFANYL)7(3BROMOBENZYL)3METHYL37DIHYDRO1HPURINE26DIONE
8(allylthio)7(3bromobenzyl)3methyl1Hpurine26(3H7H)dione
8ALLYLSULFANYL7(3BROMOBENZYL)3METHYL37DIHYDROPURINE26DIONE
C=CCSc1nc2c(n1Cc1cccc(c1)Br)c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC=C)CC3=CC(=CC=C3)Br
InChI=1SC16H15BrN4O2Sc1372416181312(14(22)1915(23)20(13)2)21(16)91054611(17)810h368H179H22H3(H192223)
MFCD01079315
STK074242
ZINC000002056405
ZINC02056405
ZINC2056405
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.