Vitas-M small molecule compound
diethyl 3-methyl-5-({[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)thiophene-2,4-dicarboxylate
Catalog ID
STL505050
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc([nH]2)c2ccccc2)sc(c1C)C(=O)OCC
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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 C21H22N4O5S2 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5S2/c1-4-29-19(27)15-12(3)16(20(28)30-5-2)32-18(15)22-14(26)11-31-21-23-17(24-25-21)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,22,26)(H,23,24,25)InChIKey
KCPNCFHDGFONEN-UHFFFAOYSA-NSynonyms
1815644
DIETHYL3METHYL5((((5PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)24THIOPHENEDICARBOXYLATE
diethyl3methyl5((((5phenyl4H124triazol3yl)sulfanyl)acetyl)amino)thiophene24dicarboxylate
diethyl3methyl5((2((5phenyl1~(H)124triazol3yl)sulfanyl)acetyl)amino)thiophene24dicarboxylate
DIETHYL3METHYL5((2((5PHENYL1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)THIOPHENE24DICARBOXYLATE
InChI=1SC21H22N4O5S2c142919(27)1512(3)16(20(28)3052)3218(15)2214(26)1131212317(242521)1397681013h610H4511H213H3(H2226)(H232425)
MFCD04091400
ZINC000002179289
ZINC2179289
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