Vitas-M small molecule compound
2-({6-hydroxy-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl}sulfanyl)acetamide
Catalog ID
STK561359
SMILES OC(Cn1c(SCC(=O)N)nc2c1c(O)nc(=O)n2C)COc1ccccc1C
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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 C18H21N5O5S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5O5S/c1-10-5-3-4-6-12(10)28-8-11(24)7-23-14-15(20-18(23)29-9-13(19)25)22(2)17(27)21-16(14)26/h3-6,11,24H,7-9H2,1-2H3,(H2,19,25)(H,21,26,27)InChIKey
LZGRIJNTTYMIIQ-UHFFFAOYSA-NSynonyms
313471-48-62((6hydroxy7(2hydroxy3(2methylphenoxy)propyl)3methyl2oxo37dihydro2Hpurin8yl)sulfanyl)acetamide
2(7(2HYDROXY3(2METHYLPHENOXY)PROPYL)3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)ACETAMIDE
2(7(2HYDROXY3(2METHYLPHENOXY)PROPYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETAMIDE
313471486
CC1=CC=CC=C1OCC(CN2C3=C(N=C2SCC(=O)N)N(C(=O)NC3=O)C)O
InChI=1SC18H21N5O5Sc110534612(10)28811(24)7231415(2018(23)29913(19)25)22(2)17(27)2116(14)26h361124H79H212H3(H21925)(H212627)
MFCD03803474
ZINC000001791386
ZINC000001791390
ZINC03980155
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