Vitas-M small molecule compound
2-{[1-(2-chlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
Catalog ID
STK679111
SMILES CCOc1cc(CCNC(=O)CSc2nc3c(n2C)c(=O)n(c(=O)n3C)Cc2ccccc2Cl)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 C28H32ClN5O5S MW 586.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32ClN5O5S/c1-5-38-21-12-11-18(15-22(21)39-6-2)13-14-30-23(35)17-40-27-31-25-24(32(27)3)26(36)34(28(37)33(25)4)16-19-9-7-8-10-20(19)29/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H,30,35)InChIKey
FREFFXLKMPCBOK-UHFFFAOYSA-NSynonyms
2((1(2chlorobenzyl)37dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)N(2(34diethoxyphenyl)ethyl)acetamide
2(1((2CHLOROPHENYL)METHYL)37DIMETHYL26DIOXOPURIN8YL)SULFANYLN(2(34DIETHOXYPHENYL)ETHYL)ACETAMIDE
CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4Cl)OCC
InChI=1SC28H32ClN5O5Sc153821121118(1522(21)3962)13143023(35)174027312524(32(27)3)26(36)34(28(37)33(25)4)16199781020(19)29h71215H5613141617H214H3(H3035)
MFCD03408402
ZINC000000719721
ZINC719721
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