Vitas-M small molecule compound
7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK834397
SMILES CCCCCSc1nc2c(n1CC(COc1ccccc1)O)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 C20H26N4O4S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O4S/c1-3-4-8-11-29-20-21-17-16(18(26)22-19(27)23(17)2)24(20)12-14(25)13-28-15-9-6-5-7-10-15/h5-7,9-10,14,25H,3-4,8,11-13H2,1-2H3,(H,22,26,27)InChIKey
PMEGARMSYGNTDY-UHFFFAOYSA-NSynonyms
331675-51-5331675515
7(2hydroxy3phenoxypropyl)3methyl8(pentylsulfanyl)37dihydro1Hpurine26dione
7(2HYDROXY3PHENOXYPROPYL)3METHYL8(PENTYLTHIO)1HPURINE26(3H7H)DIONE
7(2HYDROXY3PHENOXYPROPYL)3METHYL8PENTYLSULFANYLPURINE26DIONE
7(2HYDROXY3PHENOXYPROPYL)3METHYL8PENTYLTHIO137TRIHYDROPURINE26DIONE
CCCCCSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C
CCCCCSc1nc2c(n1CC(COc1ccccc1)O)c(=O)(nH)c(=O)n2C
InChI=1SC20H26N4O4Sc1348112920211716(18(26)2219(27)23(17)2)24(20)1214(25)13281596571015h579101425H3481113H212H3(H222627)
MFCD00809895
ZINC000002055872
ZINC000002055873
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