Vitas-M small molecule compound
ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-{[(4-fluorophenyl)carbonyl]amino}alaninate
Catalog ID
STK761439
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)N)CCCC2)NC(=O)c1ccc(cc1)F
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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 C21H21F4N3O4S MW 487.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F4N3O4S/c1-2-32-19(31)20(21(23,24)25,27-17(30)11-7-9-12(22)10-8-11)28-18-15(16(26)29)13-5-3-4-6-14(13)33-18/h7-10,28H,2-6H2,1H3,(H2,26,29)(H,27,30)InChIKey
RZDNTELPPNZTJP-UHFFFAOYSA-NSynonyms
298683-76-8298683768
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)F
ethyl2((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)333trifluoro2((4fluorobenzoyl)amino)propanoate
ethyl2((3carbamoyl4567tetrahydrobenzo(b)thiophen2yl)amino)333trifluoro2(4fluorobenzamido)propanoate
ethylN(3carbamoyl4567tetrahydro1benzothiophen2yl)333trifluoro2(((4fluorophenyl)carbonyl)amino)alaninate
InChI=1SC21H21F4N3O4Sc123219(31)20(21(2324)252717(30)117912(22)10811)281815(16(26)29)13534614(13)3318h71028H26H21H3(H22629)(H2730)
MFCD01859110
ZINC000002270287
ZINC000002270288
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