Vitas-M small molecule compound
ethyl 4-cyano-3-methyl-5-[({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-2-carboxylate
Catalog ID
STL505094
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nnc([nH]1)c1ccncc1
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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 C18H16N6O3S2 MW 428.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N6O3S2/c1-3-27-17(26)14-10(2)12(8-19)16(29-14)21-13(25)9-28-18-22-15(23-24-18)11-4-6-20-7-5-11/h4-7H,3,9H2,1-2H3,(H,21,25)(H,22,23,24)InChIKey
SSOPJEYHIRYURX-UHFFFAOYSA-NSynonyms
2948527
4CYANO3METHYL5((1OXO2((5PYRIDIN4YL1H124TRIAZOL3YL)THIO)ETHYL)AMINO)2THIOPHENECARBOXYLICACIDETHYLESTER
4CYANO3METHYL5((2((5(4PYRIDYL)1H124TRIAZOL3YL)THIO)ACETYL)AMINO)THIOPHENE2CARBOXYLICACIDETHYLESTER
ETHYL4CYANO3METHYL5((((5(4PYRIDINYL)4H124TRIAZOL3YL)THIO)ACETYL)AMINO)2THIOPHENECARBOXYLATE
ethyl4cyano3methyl5((((5(pyridin4yl)4H124triazol3yl)sulfanyl)acetyl)amino)thiophene2carboxylate
ethyl4cyano3methyl5((2((5pyridin4yl1~(H)124triazol3yl)sulfanyl)acetyl)amino)thiophene2carboxylate
ETHYL4CYANO3METHYL5((2((5PYRIDIN4YL1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)THIOPHENE2CARBOXYLATE
ETHYL4CYANO3METHYL5(2((5PYRIDIN4YL1H124TRIAZOL3YL)SULFANYL)ETHANOYLAMINO)THIOPHENE2CARBOXYLATE
InChI=1SC18H16N6O3S2c132717(26)1410(2)12(819)16(2914)2113(25)928182215(232418)1146207511h47H39H212H3(H2125)(H222324)
MFCD04149601
ZINC000008680885
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