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-(3,4-dimethoxyphenyl)ethyl]acetamide
Catalog ID
STK680165
SMILES CCOc1cc(ccc1OCC)Cn1c(SCC(=O)NCCc2ccc(c(c2)OC)OC)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 C30H37N5O7S MW 611.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37N5O7S/c1-7-41-22-12-10-20(16-24(22)42-8-2)17-35-26-27(33(3)30(38)34(4)28(26)37)32-29(35)43-18-25(36)31-14-13-19-9-11-21(39-5)23(15-19)40-6/h9-12,15-16H,7-8,13-14,17-18H2,1-6H3,(H,31,36)InChIKey
XAWSYGAGGPJIQU-UHFFFAOYSA-NSynonyms
2((7(34diethoxybenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)N(2(34dimethoxyphenyl)ethyl)acetamide
2(7((34DIETHOXYPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLN(2(34DIMETHOXYPHENYL)ETHYL)ACETAMIDE
CCOC1=C(C=C(C=C1)CN2C3=C(N=C2SCC(=O)NCCC4=CC(=C(C=C4)OC)OC)N(C(=O)N(C3=O)C)C)OCC
InChI=1SC30H37N5O7Sc174122121020(1624(22)4282)17352627(33(3)30(38)34(4)28(26)37)3229(35)431825(36)3114131991121(395)23(1519)406h9121516H7813141718H216H3(H3136)
MFCD03766761
ZINC000098005139
ZINC98005139
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