Vitas-M small molecule compound
7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK527511
SMILES CCCCCSc1nc2c(n1CC(COc1ccc(cc1)CC)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 C22H30N4O4S MW 446.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O4S/c1-4-6-7-12-31-22-23-19-18(20(28)24-21(29)25(19)3)26(22)13-16(27)14-30-17-10-8-15(5-2)9-11-17/h8-11,16,27H,4-7,12-14H2,1-3H3,(H,24,28,29)InChIKey
VDOJZPSFZSVCDQ-UHFFFAOYSA-NSynonyms
370070-82-9370070829
7(3((4ETHYLPHENYL)OXY)2HYDROXYPROPYL)3METHYL8(PENTYLSULFANYL)37DIHYDRO1HPURINE26DIONE
7(3(4ethylphenoxy)2hydroxypropyl)3methyl8(pentylsulfanyl)37dihydro1Hpurine26dione
7(3(4ethylphenoxy)2hydroxypropyl)3methyl8(pentylthio)1Hpurine26(3H7H)dione
7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)3METHYL8PENTYLSULFANYLPURINE26DIONE
CCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)CC)O)C(=O)NC(=O)N2C
CCCCCSc1nc2c(n1CC(COc1ccc(cc1)CC)O)c(=O)(nH)c(=O)n2C
InChI=1SC22H30N4O4Sc1467123122231918(20(28)2421(29)25(19)3)26(22)1316(27)14301710815(52)91117h8111627H471214H213H3(H242829)
MFCD00809884
ZINC000006149693
ZINC000006149696
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