Vitas-M small molecule compound
2-{[7-(3,4-diethoxybenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Catalog ID
STK679744
SMILES CCOc1cc(ccc1OCC)Cn1c(SCC(=O)Nc2c(C)cc(cc2C)C)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 C29H35N5O5S MW 565.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N5O5S/c1-8-38-21-11-10-20(14-22(21)39-9-2)15-34-25-26(32(6)29(37)33(7)27(25)36)31-28(34)40-16-23(35)30-24-18(4)12-17(3)13-19(24)5/h10-14H,8-9,15-16H2,1-7H3,(H,30,35)InChIKey
WKOCLBCCHQDAEJ-UHFFFAOYSA-NSynonyms
2((7(34diethoxybenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)N(246trimethylphenyl)acetamide
2(7((34DIETHOXYPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLN(246TRIMETHYLPHENYL)ACETAMIDE
CCOC1=C(C=C(C=C1)CN2C3=C(N=C2SCC(=O)NC4=C(C=C(C=C4C)C)C)N(C(=O)N(C3=O)C)C)OCC
InChI=1SC29H35N5O5Sc183821111020(1422(21)3992)15342526(32(6)29(37)33(7)27(25)36)3128(34)401623(35)302418(4)1217(3)1319(24)5h1014H891516H217H3(H3035)
MFCD03765922
ZINC000000719987
ZINC719987
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