Vitas-M small molecule compound
[(5E)-5-(4-{[7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK337193
SMILES COc1cc(ccc1Oc1nc2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C)/C=C\1/SC(=S)N(C1=O)CC(=O)O
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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 C27H21Cl2N5O7S2 MW 662.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21Cl2N5O7S2/c1-31-22-21(24(38)32(2)26(31)39)33(11-14-5-6-15(28)10-16(14)29)25(30-22)41-17-7-4-13(8-18(17)40-3)9-19-23(37)34(12-20(35)36)27(42)43-19/h4-10H,11-12H2,1-3H3,(H,35,36)/b19-9+InChIKey
SSUQNBHYJKIADW-DJKKODMXSA-NSynonyms
((5E)5(4((7(24dichlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)oxy)3methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((4(7((24dichlorophenyl)methyl)13dimethyl26dioxopurin8yl)oxy3methoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=C(C=C(C=C3)C=C4C(=O)N(C(=S)S4)CC(=O)O)OC)CC5=C(C=C(C=C5)Cl)Cl
COc1cc(ccc1Oc1nc2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C)C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC27H21Cl2N5O7S2c1312221(24(38)32(2)26(31)39)33(11145615(28)1016(14)29)25(3022)41177413(818(17)403)91923(37)34(1220(35)36)27(42)4319h410H1112H213H3(H3536)b199+
MFCD05150227
ZINC000097962711
ZINC97962711
Check stock
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Check stock on Vitas-MAvailable files
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