Vitas-M small molecule compound
8-(butan-2-ylsulfanyl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STL047564
SMILES CCC(Sc1nc2c(n1CC(COc1ccc(cc1)CC)O)c(O)nc(=O)n2C)C
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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 C21H28N4O4S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O4S/c1-5-13(3)30-21-22-18-17(19(27)23-20(28)24(18)4)25(21)11-15(26)12-29-16-9-7-14(6-2)8-10-16/h7-10,13,15,26H,5-6,11-12H2,1-4H3,(H,23,27,28)InChIKey
DFIFKJGHEUERIK-UHFFFAOYSA-NSynonyms
328069-92-7328069927
7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)3METHYL8(METHYLPROPYLTHIO)137TRIHYDROPURINE26DIONE
8(butan2ylsulfanyl)7(3(4ethylphenoxy)2hydroxypropyl)6hydroxy3methyl37dihydro2Hpurin2one
8(SECBUTYLSULFANYL)7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)3METHYL37DIHYDRO1HPURINE26DIONE
8BUTAN2YLSULFANYL7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)3METHYLPURINE26DIONE
CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SC(C)CC)N(C(=O)NC3=O)C)O
InChI=1SC21H28N4O4Sc1513(3)3021221817(19(27)2320(28)24(18)4)25(21)1115(26)1229169714(62)81016h710131526H561112H214H3(H232728)
MFCD03806268
ZINC000000655183
ZINC000000678579
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