Vitas-M small molecule compound

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

Catalog ID
STK049888
SMILES Clc1ccccc1CSc1nc2c(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)24-8-10-6-4-5-7-11(10)17/h4-7,9H,8H2,1-3H3,(H,19,22,23)
InChIKey
SGCNGVBHIBOYTC-UHFFFAOYSA-N
Synonyms
331751-80-5
331751805
8((2CHLOROBENZYL)SULFANYL)3METHYL7(PROPAN2YL)37DIHYDRO1HPURINE26DIONE
8((2CHLOROBENZYL)THIO)7ISOPROPYL3METHYL1HPURINE26(3H7H)DIONE
8((2CHLOROPHENYL)METHYLSULFANYL)3METHYL7PROPAN2YLPURINE26DIONE
8(2CHLOROBENZYLSULFANYL)7ISOPROPYL3METHYL37DIHYDROPURINE26DIONE
CC(C)N1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)NC2=O)C
Clc1ccccc1CSc1nc2c(n1C(C)C)c(=O)(nH)c(=O)n2C
InChI=1SC16H17ClN4O2Sc19(2)211213(20(3)15(23)1914(12)22)1816(21)24810645711(10)17h479H8H213H3(H192223)
MFCD01032077
STK049888
ZINC000000626323
ZINC00626323
ZINC626323

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Available files

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