Vitas-M small molecule compound
ethyl 5-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate
Catalog ID
STL445355
SMILES CCOC(=O)c1sc(c(c1C)C(=O)Nc1ccccc1)NC(=O)CSc1nnc(n1CC)c1ccccc1
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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 C27H27N5O4S2 MW 549.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4S2/c1-4-32-23(18-12-8-6-9-13-18)30-31-27(32)37-16-20(33)29-25-21(17(3)22(38-25)26(35)36-5-2)24(34)28-19-14-10-7-11-15-19/h6-15H,4-5,16H2,1-3H3,(H,28,34)(H,29,33)InChIKey
IUPQQBGUKMGPRN-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4
ethyl5((((4ethyl5phenyl4H124triazol3yl)sulfanyl)acetyl)amino)3methyl4(phenylcarbamoyl)thiophene2carboxylate
ETHYL5((2((4ETHYL5PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)3METHYL4(PHENYLCARBAMOYL)THIOPHENE2CARBOXYLATE
InChI=1SC27H27N5O4S2c143223(18128691318)303127(32)371620(33)292521(17(3)22(3825)26(35)3652)24(34)281914107111519h615H4516H213H3(H2834)(H2933)
MFCD05842670
ZINC000059630540
ZINC59630540
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