Vitas-M small molecule compound
3-[(3-methyl-7-nonyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid
Catalog ID
STK527243
SMILES CCCCCCCCCn1c(SCCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C
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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 C18H28N4O4S MW 396.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28N4O4S/c1-3-4-5-6-7-8-9-11-22-14-15(21(2)17(26)20-16(14)25)19-18(22)27-12-10-13(23)24/h3-12H2,1-2H3,(H,23,24)(H,20,25,26)InChIKey
JPYFDXQBTFJRCM-UHFFFAOYSA-NSynonyms
371780-33-53((3methyl7nonyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3((3methyl7nonyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoicacid
3(3METHYL7NONYL26DIOXOPURIN8YL)SULFANYLPROPANOICACID
371780335
CCCCCCCCCn1c(SCCC(=O)O)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C
InChI=1SC18H28N4O4Sc1345678911221415(21(2)17(26)2016(14)25)1918(22)27121013(23)24h312H212H3(H2324)(H202526)
MFCD01556906
ZINC000002262061
ZINC2262061
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