Vitas-M small molecule compound

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

Catalog ID
STK061425
SMILES OCCSc1nc2c(n1Cc1ccc(cc1)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 C16H18N4O3S MW 346.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3S/c1-10-3-5-11(6-4-10)9-20-12-13(17-16(20)24-8-7-21)19(2)15(23)18-14(12)22/h3-6,21H,7-9H2,1-2H3,(H,18,22,23)
InChIKey
OTHDRLKQNVEUBO-UHFFFAOYSA-N
Synonyms
303970-01-6
303970016
8((2HYDROXYETHYL)SULFANYL)3METHYL7(4METHYLBENZYL)37DIHYDRO1HPURINE26DIONE
8((2HYDROXYETHYL)THIO)3METHYL7(4METHYLBENZYL)1HPURINE26(3H7H)DIONE
8(2HYDROXYETHYLSULFANYL)3METHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
8(2HYDROXYETHYLTHIO)3METHYL7((4METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
CC1=CC=C(C=C1)CN2C3=C(N=C2SCCO)N(C(=O)NC3=O)C
InChI=1SC16H18N4O3Sc1103511(6410)9201213(1716(20)248721)19(2)15(23)1814(12)22h3621H79H212H3(H182223)
MFCD01554570
OCCSc1nc2c(n1Cc1ccc(cc1)C)c(=O)(nH)c(=O)n2C
STK061425
ZINC000002063813
ZINC02063813
ZINC2063813

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Available files

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