Vitas-M small molecule compound
ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-{[(2-fluorophenyl)carbonyl]amino}alaninate
Catalog ID
STK761434
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCC2)NC(=O)c1ccccc1F
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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 C21H19F4N3O3S MW 469.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F4N3O3S/c1-2-31-19(30)20(21(23,24)25,27-17(29)13-8-3-5-9-15(13)22)28-18-14(11-26)12-7-4-6-10-16(12)32-18/h3,5,8-9,28H,2,4,6-7,10H2,1H3,(H,27,29)InChIKey
VGISVTXWMYRYNY-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C#N)NC(=O)C3=CC=CC=C3F
ethyl2((3cyano4567tetrahydro1benzothiophen2yl)amino)333trifluoro2((2fluorobenzoyl)amino)propanoate
ethylN(3cyano4567tetrahydro1benzothiophen2yl)333trifluoro2(((2fluorophenyl)carbonyl)amino)alaninate
InChI=1SC21H19F4N3O3Sc123119(30)20(21(2324)252717(29)13835915(13)22)281814(1126)127461016(12)3218h358928H246710H21H3(H2729)
MFCD01926302
ZINC000002050087
ZINC000002050088
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