Vitas-M small molecule compound
ethyl N-({[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)phenylalaninate
Catalog ID
STK684260
SMILES CCOC(=O)C(Cc1ccccc1)NC(=O)CSc1nc2c(n1Cc1ccccc1F)c(=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 C27H28FN5O5S MW 553.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FN5O5S/c1-4-38-25(36)20(14-17-10-6-5-7-11-17)29-21(34)16-39-26-30-23-22(24(35)32(3)27(37)31(23)2)33(26)15-18-12-8-9-13-19(18)28/h5-13,20H,4,14-16H2,1-3H3,(H,29,34)InChIKey
GZTFEZXRWFPLQF-UHFFFAOYSA-NSynonyms
CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C
ETHYL2((2(7((2FLUOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETYL)AMINO)3PHENYLPROPANOATE
ethylN(((7(2fluorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetyl)phenylalaninate
InChI=1SC27H28FN5O5Sc143825(36)20(1417106571117)2921(34)163926302322(24(35)32(3)27(37)31(23)2)33(26)151812891319(18)28h51320H41416H213H3(H2934)
MFCD05260163
ZINC000098007017
ZINC000098007018
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