Vitas-M small molecule compound

3-[(7-hexyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoic acid

Catalog ID
STK598186
SMILES CCCCCCn1c(SCCC(=O)O)nc2c1c(O)nc(=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 C15H22N4O4S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H22N4O4S/c1-3-4-5-6-8-19-11-12(18(2)14(23)17-13(11)22)16-15(19)24-9-7-10(20)21/h3-9H2,1-2H3,(H,20,21)(H,17,22,23)
InChIKey
CQLCXLHHNDXPAU-UHFFFAOYSA-N
Synonyms
879438-07-0
3((7hexyl6hydroxy3methyl2oxo37dihydro2Hpurin8yl)sulfanyl)propanoicacid
3(7HEXYL3METHYL26DIOXOPURIN8YL)SULFANYLPROPANOICACID
879438070
CCCCCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C
InChI=1SC15H22N4O4Sc134568191112(18(2)14(23)1713(11)22)1615(19)249710(20)21h39H212H3(H2021)(H172223)
MFCD07199791
ZINC000013540039
ZINC13540039

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Available files

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