Vitas-M small molecule compound

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

Catalog ID
STK005549
SMILES CC(CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)[nH]c(=O)n2C)O

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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/c1-9(22)8-25-16-18-13-12(14(23)19-15(24)20(13)2)21(16)7-10-3-5-11(17)6-4-10/h3-6,9,22H,7-8H2,1-2H3,(H,19,23,24)
InChIKey
VZYWTSTXSIBECE-UHFFFAOYSA-N
Synonyms
313479-85-5
313479855
7((4CHLOROPHENYL)METHYL)8(2HYDROXYPROPYLSULFANYL)3METHYLPURINE26DIONE
7((4CHLOROPHENYL)METHYL)8(2HYDROXYPROPYLTHIO)3METHYL137TRIHYDROPURINE26DIONE
7(4CHLOROBENZYL)8((2HYDROXYPROPYL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7(4CHLOROBENZYL)8((2HYDROXYPROPYL)THIO)3METHYL1HPURINE26(3H7H)DIONE
CC(CSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C)O
CC(CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)(nH)c(=O)n2C)O
InChI=1SC16H17ClN4O3Sc19(22)82516181312(14(23)1915(24)20(13)2)21(16)7103511(17)6410h36922H78H212H3(H192324)
MFCD01051149
STK005549
ZINC000000627196
ZINC000000627198

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Available files

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