Vitas-M small molecule compound
3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid
Catalog ID
STK897616
SMILES CCn1c(SCCC(=O)O)nc2c1n(C)c(=O)n(c2=O)C
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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 C12H16N4O4S MW 312.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O4S/c1-4-16-9-8(10(19)15(3)12(20)14(9)2)13-11(16)21-6-5-7(17)18/h4-6H2,1-3H3,(H,17,18)InChIKey
XWSSGDYXASVHIB-UHFFFAOYSA-NSynonyms
3((9ethyl13dimethyl26dioxo2369tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3(9ethyl13dimethyl26dioxopurin8yl)sulfanylpropanoicacid
CCN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCCC(=O)O
InChI=1SC12H16N4O4Sc141698(10(19)15(3)12(20)14(9)2)1311(16)21657(17)18h46H213H3(H1718)
MFCD15147726
ZINC000033274164
ZINC33274164
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