Vitas-M small molecule compound
3-[(7-heptyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid
Catalog ID
STK528736
SMILES CCCCCCCn1c(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 C16H24N4O4S MW 368.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H24N4O4S/c1-3-4-5-6-7-9-20-12-13(19(2)15(24)18-14(12)23)17-16(20)25-10-8-11(21)22/h3-10H2,1-2H3,(H,21,22)(H,18,23,24)InChIKey
DBLGCVKRUAUJQP-UHFFFAOYSA-NSynonyms
313274-03-23((7heptyl3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3((7heptyl3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoicacid
3(7HEPTYL3METHYL26DIOXOPURIN8YL)SULFANYLPROPANOICACID
313274032
CCCCCCCn1c(SCCC(=O)O)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C
InChI=1SC16H24N4O4Sc1345679201213(19(2)15(24)1814(12)23)1716(20)2510811(21)22h310H212H3(H2122)(H182324)
MFCD01557974
ZINC000002208188
ZINC2208188
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