Vitas-M small molecule compound

methyl [(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate

Catalog ID
STK999125
SMILES CCCCCn1c(SCC(=O)OC)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 C14H20N4O4S MW 340.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20N4O4S/c1-4-5-6-7-18-10-11(17(2)13(21)16-12(10)20)15-14(18)23-8-9(19)22-3/h4-8H2,1-3H3,(H,16,20,21)
InChIKey
PIJGZCZBSJBTFA-UHFFFAOYSA-N
Synonyms
383903-30-8
383903308
CCCCCn1c(SCC(=O)OC)nc2c1c(=O)(nH)c(=O)n2C
CCCCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C
InChI=1SC14H20N4O4Sc14567181011(17(2)13(21)1612(10)20)1514(18)2389(19)223h48H213H3(H162021)
methyl((3methyl26dioxo7pentyl2367tetrahydro1Hpurin8yl)sulfanyl)acetate
methyl2((3methyl26dioxo7pentyl2367tetrahydro1Hpurin8yl)thio)acetate
METHYL2(3METHYL26DIOXO7PENTYL137TRIHYDROPURIN8YLTHIO)ACETATE
METHYL2(3METHYL26DIOXO7PENTYLPURIN8YL)SULFANYLACETATE
MFCD03283967
ZINC000001818235
ZINC01818235
ZINC1818235

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Available files

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