Vitas-M small molecule compound
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK678454
SMILES CCOc1cc(CCNC(=O)CSc2nc3c(n2Cc2ccccc2F)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 C28H32FN5O5S MW 569.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32FN5O5S/c1-5-38-21-12-11-18(15-22(21)39-6-2)13-14-30-23(35)17-40-27-31-25-24(26(36)33(4)28(37)32(25)3)34(27)16-19-9-7-8-10-20(19)29/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H,30,35)InChIKey
KXOYJLNURFVDTH-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C)OCC
InChI=1SC28H32FN5O5Sc153821121118(1522(21)3962)13143023(35)174027312524(26(36)33(4)28(37)32(25)3)34(27)16199781020(19)29h71215H5613141617H214H3(H3035)
MFCD03034969
N(2(34diethoxyphenyl)ethyl)2((7(2fluorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
N(2(34DIETHOXYPHENYL)ETHYL)2(7((2FLUOROPHENYL)METHYL)13DIMETHYL26DIOXO(137TRIHYDROPURIN8YLTHIO))ACETAMIDE
N(2(34DIETHOXYPHENYL)ETHYL)2(7((2FLUOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETAMIDE
ZINC000000718627
ZINC718627
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