Vitas-M small molecule compound
ethyl 4-(5-{2-amino-3-cyano-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinolin-4-yl}furan-2-yl)benzoate
Catalog ID
STK684962
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1nnc(s1)SC(C)C)C#N
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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 C28H27N5O4S2 MW 561.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O4S2/c1-4-36-26(35)17-10-8-16(9-11-17)21-12-13-22(37-21)23-18(14-29)25(30)33(19-6-5-7-20(34)24(19)23)27-31-32-28(39-27)38-15(2)3/h8-13,15,23H,4-7,30H2,1-3H3InChIKey
GZZSEZHEJKTLMZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C3C(=C(N(C4=C3C(=O)CCC4)C5=NN=C(S5)SC(C)C)N)C#Nethyl4(5(2amino3cyano5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)145678hexahydroquinolin4yl)furan2yl)benzoate
ethyl4(5(2amino3cyano5oxo1(5propan2ylsulfanyl134thiadiazol2yl)4678tetrahydroquinolin4yl)furan2yl)benzoate
Registry IDs
MFCD05856672ZINC000098007236
ZINC000098007237
Check stock
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Check stock on Vitas-MAvailable files
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