Vitas-M small molecule compound

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

Catalog ID
STK840092
SMILES CCCCCCn1c(SCC(=O)OC)nc2c1c(=O)n(C)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/c1-5-6-7-8-9-20-12-13(17-15(20)25-10-11(21)24-4)18(2)16(23)19(3)14(12)22/h5-10H2,1-4H3
InChIKey
TZVCVGUHWWIYNS-UHFFFAOYSA-N
Synonyms
371134-02-0
CCCCCCN1C2=C(N=C1SCC(=O)OC)N(C(=O)N(C2=O)C)C
methyl((7hexyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
methyl2((7hexyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
METHYL2(7HEXYL13DIMETHYL26DIOXO137TRIHYDROPURIN8YLTHIO)ACETATE
METHYL2(7HEXYL13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETATE
Registry IDs
MFCD03008587
ZINC000012377507
ZINC12377507

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.