Vitas-M small molecule compound
3-methyl-7-(4-methylbenzyl)-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK541282
SMILES Cc1ccc(cc1)Cn1c(SCCN2CCOCC2)nc2c1c(=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 C20H25N5O3S MW 415.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O3S/c1-14-3-5-15(6-4-14)13-25-16-17(23(2)19(27)22-18(16)26)21-20(25)29-12-9-24-7-10-28-11-8-24/h3-6H,7-13H2,1-2H3,(H,22,26,27)InChIKey
WXUAVGRKUBTRIY-UHFFFAOYSA-NSynonyms
3METHYL7((4METHYLPHENYL)METHYL)8(2MORPHOLIN4YLETHYLSULFANYL)PURINE26DIONE
3METHYL7((4METHYLPHENYL)METHYL)8(2MORPHOLIN4YLETHYLTHIO)137TRIHYDROPURINE26DIONE
3methyl7(4methylbenzyl)8((2(morpholin4yl)ethyl)sulfanyl)37dihydro1Hpurine26dione
3methyl7(4methylbenzyl)8((2morpholinoethyl)thio)1Hpurine26(3H7H)dione
CC1=CC=C(C=C1)CN2C3=C(N=C2SCCN4CCOCC4)N(C(=O)NC3=O)C
Cc1ccc(cc1)Cn1c(SCCN2CCOCC2)nc2c1c(=O)(nH)c(=O)n2C
InChI=1SC20H25N5O3Sc1143515(6414)13251617(23(2)19(27)2218(16)26)2120(25)29129247102811824h36H713H212H3(H222627)
MFCD02231582
ZINC000019892662
ZINC19892662
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