Vitas-M small molecule compound

2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide

Catalog ID
STL380116
SMILES CCCCn1c(SCC(=O)N)nc2c1c(=O)n(c(=O)n2C)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 C13H19N5O3S MW 325.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19N5O3S/c1-4-5-6-18-9-10(15-12(18)22-7-8(14)19)16(2)13(21)17(3)11(9)20/h4-7H2,1-3H3,(H2,14,19)
InChIKey
OTXKTYNEWMVJKA-UHFFFAOYSA-N
Synonyms

2((7butyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
2(7BUTYL13DIMETHYL26DIOXO137TRIHYDROPURIN8YLTHIO)ACETAMIDE
2(7BUTYL13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETAMIDE
CCCCN1C2=C(N=C1SCC(=O)N)N(C(=O)N(C2=O)C)C
InChI=1SC13H19N5O3Sc145618910(1512(18)2278(14)19)16(2)13(21)17(3)11(9)20h47H213H3(H21419)
MFCD03110990
ZINC000002501689
ZINC02501689
ZINC2501689

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Available files

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