Vitas-M small molecule compound
ethyl 5-acetyl-4-methyl-2-({[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate
Catalog ID
STL384131
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc([nH]2)c2ccccc2)sc(c1C)C(=O)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 C20H20N4O4S2 MW 444.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S2/c1-4-28-19(27)15-11(2)16(12(3)25)30-18(15)21-14(26)10-29-20-22-17(23-24-20)13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3,(H,21,26)(H,22,23,24)InChIKey
QQIQMSHJKQFGLE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3
CCOC(=O)c1c(NC(=O)CSc2nnc((nH)2)c2ccccc2)sc(c1C)C(=O)C
ETHYL5ACETYL4METHYL2((((5PHENYL1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
ethyl5acetyl4methyl2((((5phenyl4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
ETHYL5ACETYL4METHYL2((2((5PHENYL1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC20H20N4O4S2c142819(27)1511(2)16(12(3)25)3018(15)2114(26)1029202217(232420)138657913h59H410H213H3(H2126)(H222324)
MFCD04210448
ZINC000006492015
ZINC06492015
ZINC6492015
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