Vitas-M small molecule compound
ethyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
Catalog ID
STK765556
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCC(C2)C)NC(=O)OCC
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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 C18H22F3N3O4S MW 433.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22F3N3O4S/c1-4-27-15(25)17(18(19,20)21,24-16(26)28-5-2)23-14-12(9-22)11-7-6-10(3)8-13(11)29-14/h10,23H,4-8H2,1-3H3,(H,24,26)InChIKey
XFJHEMDMGIKTPT-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CC(CC2)C)C#N)NC(=O)OCC
ethyl2((3cyano6methyl4567tetrahydro1benzothiophen2yl)amino)2(ethoxycarbonylamino)333trifluoropropanoate
ethylN(3cyano6methyl4567tetrahydro1benzothiophen2yl)2((ethoxycarbonyl)amino)333trifluoroalaninate
InChI=1SC18H22F3N3O4Sc142715(25)17(18(1920)212416(26)2852)231412(922)117610(3)813(11)2914h1023H48H213H3(H2426)
MFCD02933803
ZINC000002191887
ZINC000002191890
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Check stock on Vitas-MAvailable files
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