Vitas-M small molecule compound

({7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid

Catalog ID
STK529007
SMILES OC(Cn1c(SCC(=O)O)nc2c1c(=O)[nH]c(=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 C18H20N4O6S MW 420.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O6S/c1-10-5-3-4-6-12(10)28-8-11(23)7-22-14-15(19-18(22)29-9-13(24)25)21(2)17(27)20-16(14)26/h3-6,11,23H,7-9H2,1-2H3,(H,24,25)(H,20,26,27)
InChIKey
QLWHASLPZNQXPB-UHFFFAOYSA-N
Synonyms
332103-70-5
((7(2hydroxy3(2methylphenoxy)propyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)aceticacid
2((7(2hydroxy3(otolyloxy)propyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)aceticacid
2(7(2HYDROXY3(2METHYLPHENOXY)PROPYL)3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)ACETICACID
2(7(2HYDROXY3(2METHYLPHENOXY)PROPYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETICACID
332103705
CC1=CC=CC=C1OCC(CN2C3=C(N=C2SCC(=O)O)N(C(=O)NC3=O)C)O
InChI=1SC18H20N4O6Sc110534612(10)28811(23)7221415(1918(22)29913(24)25)21(2)17(27)2016(14)26h361123H79H212H3(H2425)(H202627)
MFCD01878162
OC(Cn1c(SCC(=O)O)nc2c1c(=O)(nH)c(=O)n2C)COc1ccccc1C
ZINC000002273806
ZINC000002273807

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Available files

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