Vitas-M small molecule compound

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

Catalog ID
STK833993
SMILES CCOC(=O)CSc1nc2c(n1CCCc1ccccc1)c(=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 C19H22N4O4S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O4S/c1-3-27-14(24)12-28-19-20-16-15(17(25)21-18(26)22(16)2)23(19)11-7-10-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3,(H,21,25,26)
InChIKey
DEEVGFDRJDMMJW-UHFFFAOYSA-N
Synonyms
326918-89-2
326918892
CCOC(=O)CSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C
CCOC(=O)CSc1nc2c(n1CCCc1ccccc1)c(=O)(nH)c(=O)n2C
ethyl((3methyl26dioxo7(3phenylpropyl)2367tetrahydro1Hpurin8yl)sulfanyl)acetate
ethyl2((3methyl26dioxo7(3phenylpropyl)2367tetrahydro1Hpurin8yl)thio)acetate
ETHYL2(3METHYL26DIOXO7(3PHENYLPROPYL)137TRIHYDROPURIN8YLTHIO)ACETATE
ETHYL2(3METHYL26DIOXO7(3PHENYLPROPYL)PURIN8YL)SULFANYLACETATE
InChI=1SC19H22N4O4Sc132714(24)122819201615(17(25)2118(26)22(16)2)23(19)11710138546913h4689H371012H212H3(H212526)
MFCD01032187
ZINC000000727722
ZINC00727722
ZINC727722

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Available files

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