Vitas-M small molecule compound
ethyl 4-cyano-5-({[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetyl}amino)-3-methylthiophene-2-carboxylate
Catalog ID
STK999486
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nc2CCCCc2cc1C#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 C21H20N4O3S2 MW 440.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S2/c1-3-28-21(27)18-12(2)15(10-23)20(30-18)25-17(26)11-29-19-14(9-22)8-13-6-4-5-7-16(13)24-19/h8H,3-7,11H2,1-2H3,(H,25,26)InChIKey
RTYPSFTVQXXDBM-UHFFFAOYSA-NSynonyms
445383-10-8445383108
CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCCC3)C=C2C#N)C#N)C
ethyl4cyano5((((3cyano5678tetrahydroquinolin2yl)sulfanyl)acetyl)amino)3methylthiophene2carboxylate
ethyl4cyano5((2((3cyano5678tetrahydroquinolin2yl)sulfanyl)acetyl)amino)3methylthiophene2carboxylate
ethyl4cyano5(2((3cyano5678tetrahydroquinolin2yl)thio)acetamido)3methylthiophene2carboxylate
InChI=1SC21H20N4O3S2c132821(27)1812(2)15(1023)20(3018)2517(26)11291914(922)813645716(13)2419h8H3711H212H3(H2526)
MFCD03075967
ZINC000008451098
ZINC08451098
ZINC8451098
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