Vitas-M small molecule compound
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK678843
SMILES CCOc1cc(CCNC(=O)CSc2nc3c(n2Cc2ccc(cc2)C)c(=O)n(c(=O)n3C)C)ccc1OCC
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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/c1-6-38-22-13-12-20(16-23(22)39-7-2)14-15-30-24(35)18-40-28-31-26-25(27(36)33(5)29(37)32(26)4)34(28)17-21-10-8-19(3)9-11-21/h8-13,16H,6-7,14-15,17-18H2,1-5H3,(H,30,35)InChIKey
QLVXAWNXLUXWDQ-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C)OCC
InChI=1SC29H35N5O5Sc163822131220(1623(22)3972)14153024(35)184028312625(27(36)33(5)29(37)32(26)4)34(28)172110819(3)91121h81316H6714151718H215H3(H3035)
MFCD03134003
N(2(34diethoxyphenyl)ethyl)2((13dimethyl7(4methylbenzyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
N(2(34DIETHOXYPHENYL)ETHYL)2(13DIMETHYL7((4METHYLPHENYL)METHYL)26DIOXOPURIN8YL)SULFANYLACETAMIDE
ZINC000000720462
ZINC720462
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