Vitas-M small molecule compound

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

Catalog ID
STK023779
SMILES Clc1ccccc1CSc1nc2c(n1CCc1ccccc1)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 C21H19ClN4O2S MW 426.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2S/c1-25-18-17(19(27)24-20(25)28)26(12-11-14-7-3-2-4-8-14)21(23-18)29-13-15-9-5-6-10-16(15)22/h2-10H,11-13H2,1H3,(H,24,27,28)
InChIKey
UUHOKBCMHLMXRK-UHFFFAOYSA-N
Synonyms
332149-63-0
332149630
8((2CHLOROBENZYL)SULFANYL)3METHYL7(2PHENYLETHYL)37DIHYDRO1HPURINE26DIONE
8((2CHLOROBENZYL)SULFANYL)6HYDROXY3METHYL7(2PHENYLETHYL)37DIHYDRO2HPURIN2ONE
8((2CHLOROBENZYL)THIO)3METHYL7PHENETHYL1HPURINE26(3H7H)DIONE
8((2chlorophenyl)methylsulfanyl)3methyl7(2phenylethyl)purine26dione
8((2CHLOROPHENYL)METHYLSULFANYL)3METHYL7PHENETHYLPURINE26DIONE
8(2CHLOROBENZYLSULFANYL)3METHYL7PHENETHYL37DIHYDROPURINE26DIONE
Clc1ccccc1CSc1nc2c(n1CCc1ccccc1)c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3Cl)CCC4=CC=CC=C4
InChI=1SC21H19ClN4O2Sc1251817(19(27)2420(25)28)26(1211147324814)21(2318)2913159561016(15)22h210H1113H21H3(H242728)
MFCD01142759
STK023779
ZINC00629649
ZINC629649

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Available files

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