Vitas-M small molecule compound

pentyl {[3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate

Catalog ID
STK065255
SMILES CCCCCOC(=O)CSc1nc2c(n1Cc1ccc(cc1)C)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 C21H26N4O4S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4S/c1-4-5-6-11-29-16(26)13-30-21-22-18-17(19(27)23-20(28)24(18)3)25(21)12-15-9-7-14(2)8-10-15/h7-10H,4-6,11-13H2,1-3H3,(H,23,27,28)
InChIKey
GCYSOMXMBBCDIE-UHFFFAOYSA-N
Synonyms
303969-79-1
303969791
CCCCCOC(=O)CSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C
CCCCCOC(=O)CSc1nc2c(n1Cc1ccc(cc1)C)c(=O)(nH)c(=O)n2C
InChI=1SC21H26N4O4Sc1456112916(26)133021221817(19(27)2320(28)24(18)3)25(21)12159714(2)81015h710H461113H213H3(H232728)
MFCD01553822
pentyl((3methyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
pentyl2((3methyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
PENTYL2(3METHYL7((4METHYLPHENYL)METHYL)26DIOXO137TRIHYDROPURIN8YLTHIO)ACETATE
PENTYL2(3METHYL7((4METHYLPHENYL)METHYL)26DIOXOPURIN8YL)SULFANYLACETATE
STK065255
ZINC000006149683
ZINC06149683
ZINC6149683

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Available files

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