Vitas-M small molecule compound

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

Catalog ID
STK044533
SMILES Clc1ccc(cc1)C(=O)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 C17H17ClN4O3S MW 392.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN4O3S/c1-9(2)22-13-14(21(3)16(25)20-15(13)24)19-17(22)26-8-12(23)10-4-6-11(18)7-5-10/h4-7,9H,8H2,1-3H3,(H,20,24,25)
InChIKey
MSPJLELOYZXLLI-UHFFFAOYSA-N
Synonyms
326919-23-7
326919237
8((2(4CHLOROPHENYL)2OXOETHYL)SULFANYL)3METHYL7(PROPAN2YL)37DIHYDRO1HPURINE26DIONE
8((2(4chlorophenyl)2oxoethyl)thio)7isopropyl3methyl1Hpurine26(3H7H)dione
8(2(4CHLOROPHENYL)2OXOETHYL)SULFANYL3METHYL7PROPAN2YLPURINE26DIONE
8(2(4CHLOROPHENYL)2OXOETHYLTHIO)3METHYL7(METHYLETHYL)137TRIHYDROPURINE26DIONE
CC(C)N1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C
Clc1ccc(cc1)C(=O)CSc1nc2c(n1C(C)C)c(=O)(nH)c(=O)n2C
InChI=1SC17H17ClN4O3Sc19(2)221314(21(3)16(25)2015(13)24)1917(22)26812(23)104611(18)7510h479H8H213H3(H202425)
MFCD01032109
STK044533
ZINC000000626340
ZINC00626340
ZINC626340

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Available files

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