Vitas-M small molecule compound
ethyl 4-cyano-5-[({[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetyl)amino]-3-methylthiophene-2-carboxylate
Catalog ID
STK548233
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nc2CCCCc2c(c1C#N)c1ccc(cc1)OC
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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 C28H26N4O4S2 MW 546.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4S2/c1-4-36-28(34)25-16(2)20(13-29)27(38-25)32-23(33)15-37-26-21(14-30)24(17-9-11-18(35-3)12-10-17)19-7-5-6-8-22(19)31-26/h9-12H,4-8,15H2,1-3H3,(H,32,33)InChIKey
GLNCZFZBSTXZDV-UHFFFAOYSA-NSynonyms
445383-32-4445383324
CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCCC3)C(=C2C#N)C4=CC=C(C=C4)OC)C#N)C
ethyl4cyano5((((3cyano4(4methoxyphenyl)5678tetrahydroquinolin2yl)sulfanyl)acetyl)amino)3methylthiophene2carboxylate
ethyl4cyano5((2((3cyano4(4methoxyphenyl)5678tetrahydroquinolin2yl)sulfanyl)acetyl)amino)3methylthiophene2carboxylate
ethyl4cyano5(2((3cyano4(4methoxyphenyl)5678tetrahydroquinolin2yl)thio)acetamido)3methylthiophene2carboxylate
InChI=1SC28H26N4O4S2c143628(34)2516(2)20(1329)27(3825)3223(33)15372621(1430)24(1791118(353)121017)19756822(19)3126h912H4815H213H3(H3233)
MFCD03234590
ZINC000008451113
ZINC08451113
ZINC8451113
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