Vitas-M small molecule compound
7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK539244
SMILES CCc1ccc(cc1)OCC(Cn1c(S)nc2c1c(=O)[nH]c(=O)n2C)O
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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 C17H20N4O4S MW 376.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O4S/c1-3-10-4-6-12(7-5-10)25-9-11(22)8-21-13-14(18-17(21)26)20(2)16(24)19-15(13)23/h4-7,11,22H,3,8-9H2,1-2H3,(H,18,26)(H,19,23,24)InChIKey
HRRZHOLKBWFIBF-UHFFFAOYSA-NSynonyms
331675-12-8331675128
7(3(4ethylphenoxy)2hydroxypropyl)3methyl8sulfanyl37dihydro1Hpurine26dione
7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)3METHYL8SULFANYLIDENE9HPURINE26DIONE
7(3(4ethylphenoxy)2hydroxypropyl)8mercapto3methyl1Hpurine26(3H7H)dione
CCC1=CC=C(C=C1)OCC(CN2C3=C(NC2=S)N(C(=O)NC3=O)C)O
CCc1ccc(cc1)OCC(Cn1c(S)nc2c1c(=O)(nH)c(=O)n2C)O
InChI=1SC17H20N4O4Sc13104612(7510)25911(22)8211314(1817(21)26)20(2)16(24)1915(13)23h471122H389H212H3(H1826)(H192324)
MFCD00754410
ZINC000100687607
ZINC000100687609
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