Vitas-M small molecule compound
ethyl 3-[({[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)amino]-3-(4-methoxyphenyl)propanoate
Catalog ID
STK679538
SMILES CCOC(=O)CC(c1ccc(cc1)OC)NC(=O)CSc1nc2c(n1Cc1ccccc1Cl)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 C28H30ClN5O6S MW 600.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN5O6S/c1-5-40-23(36)14-21(17-10-12-19(39-4)13-11-17)30-22(35)16-41-27-31-25-24(26(37)33(3)28(38)32(25)2)34(27)15-18-8-6-7-9-20(18)29/h6-13,21H,5,14-16H2,1-4H3,(H,30,35)InChIKey
MZGWZSFVDNONQN-UHFFFAOYSA-NSynonyms
CCOC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)N(C(=O)N3C)C
ethyl3((((7(2chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetyl)amino)3(4methoxyphenyl)propanoate
ETHYL3((2(7((2CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETYL)AMINO)3(4METHOXYPHENYL)PROPANOATE
InChI=1SC28H30ClN5O6Sc154023(36)1421(17101219(394)131117)3022(35)164127312524(26(37)33(3)28(38)32(25)2)34(27)1518867920(18)29h61321H51416H214H3(H3035)
MFCD03763780
ZINC000029747418
ZINC000029747420
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