Vitas-M small molecule compound

7-(2-chlorobenzyl)-6-hydroxy-8-[(2-methoxyethyl)sulfanyl]-3-methyl-3,7-dihydro-2H-purin-2-one

Catalog ID
STL045581
SMILES COCCSc1nc2c(n1Cc1ccccc1Cl)c(O)nc(=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 C16H17ClN4O3S MW 380.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClN4O3S/c1-20-13-12(14(22)19-15(20)23)21(16(18-13)25-8-7-24-2)9-10-5-3-4-6-11(10)17/h3-6H,7-9H2,1-2H3,(H,19,22,23)
InChIKey
LQGPVZHFYHXGHQ-UHFFFAOYSA-N
Synonyms
500197-11-5
500197115
7((2CHLOROPHENYL)METHYL)8(2METHOXYETHYLSULFANYL)3METHYLPURINE26DIONE
7((2CHLOROPHENYL)METHYL)8(2METHOXYETHYLTHIO)3METHYL137TRIHYDROPURINE26DIONE
7(2chlorobenzyl)6hydroxy8((2methoxyethyl)sulfanyl)3methyl37dihydro2Hpurin2one
7(2CHLOROBENZYL)8((2METHOXYETHYL)THIO)3METHYL1HPURINE26(3H7H)DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCOC)CC3=CC=CC=C3Cl
InChI=1SC16H17ClN4O3Sc1201312(14(22)1915(20)23)21(16(1813)2587242)910534611(10)17h36H79H212H3(H192223)
MFCD03797857
ZINC000001902359
ZINC01902359
ZINC1902359

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Available files

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