Vitas-M small molecule compound

8-[(4-chlorobenzyl)sulfanyl]-3-methyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK048361
SMILES Clc1ccc(cc1)CSc1nc2c(n1C(C)C)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 C16H17ClN4O2S MW 364.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClN4O2S/c1-9(2)21-12-13(20(3)15(23)19-14(12)22)18-16(21)24-8-10-4-6-11(17)7-5-10/h4-7,9H,8H2,1-3H3,(H,19,22,23)
InChIKey
STILSBDVTYHTQX-UHFFFAOYSA-N
Synonyms
326919-15-7
326919157
8((4CHLOROBENZYL)SULFANYL)3METHYL7(PROPAN2YL)37DIHYDRO1HPURINE26DIONE
8((4CHLOROBENZYL)SULFANYL)7ISOPROPYL3METHYL37DIHYDRO1HPURINE26DIONE
8((4CHLOROBENZYL)THIO)7ISOPROPYL3METHYL1HPURINE26(3H7H)DIONE
8((4CHLOROPHENYL)METHYLSULFANYL)3METHYL7PROPAN2YLPURINE26DIONE
8((4CHLOROPHENYL)METHYLTHIO)3METHYL7(METHYLETHYL)137TRIHYDROPURINE26DIONE
8(4CHLOROBENZYLSULFANYL)7ISOPROPYL3METHYL37DIHYDROPURINE26DIONE
CC(C)N1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C
Clc1ccc(cc1)CSc1nc2c(n1C(C)C)c(=O)(nH)c(=O)n2C
InChI=1SC16H17ClN4O2Sc19(2)211213(20(3)15(23)1914(12)22)1816(21)248104611(17)7510h479H8H213H3(H192223)
MFCD01032079
STK048361
ZINC000000626376
ZINC00626376
ZINC626376

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Available files

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