Vitas-M small molecule compound
ethyl 2-{[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}butanoate
Catalog ID
STK057352
SMILES CCOC(=O)C(Sc1nc2c(n1CC(COc1ccccc1)O)c(=O)[nH]c(=O)n2C)CC
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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 C21H26N4O6S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O6S/c1-4-15(19(28)30-5-2)32-21-22-17-16(18(27)23-20(29)24(17)3)25(21)11-13(26)12-31-14-9-7-6-8-10-14/h6-10,13,15,26H,4-5,11-12H2,1-3H3,(H,23,27,29)InChIKey
VBTHZZUPVMTMAA-UHFFFAOYSA-NSynonyms
303970-62-9303970629
CCC(C(=O)OCC)SC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C
CCOC(=O)C(Sc1nc2c(n1CC(COc1ccccc1)O)c(=O)(nH)c(=O)n2C)CC
ethyl2((7(2hydroxy3phenoxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)butanoate
ethyl2((7(2hydroxy3phenoxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)butanoate
ETHYL2(7(2HYDROXY3PHENOXYPROPYL)3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)BUTANOATE
ETHYL2(7(2HYDROXY3PHENOXYPROPYL)3METHYL26DIOXOPURIN8YL)SULFANYLBUTANOATE
InChI=1SC21H26N4O6Sc1415(19(28)3052)3221221716(18(27)2320(29)24(17)3)25(21)1113(26)12311497681014h610131526H451112H213H3(H232729)
MFCD01185891
STK057352
ZINC000006197330
ZINC000006197457
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