Vitas-M small molecule compound

ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-{[(3-fluorophenyl)carbonyl]amino}alaninate

Catalog ID
STK762620
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)N)CCCC2)NC(=O)c1cccc(c1)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)11-6-5-7-12(22)10-11)28-18-15(16(26)29)13-8-3-4-9-14(13)33-18/h5-7,10,28H,2-4,8-9H2,1H3,(H2,26,29)(H,27,30)
InChIKey
MMTCYLHPOYKDDL-UHFFFAOYSA-N
Synonyms
309730-86-7
309730867
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)C3=CC(=CC=C3)F
ethyl2((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)333trifluoro2((3fluorobenzoyl)amino)propanoate
ethyl2((3carbamoyl4567tetrahydrobenzo(b)thiophen2yl)amino)333trifluoro2(3fluorobenzamido)propanoate
ethylN(3carbamoyl4567tetrahydro1benzothiophen2yl)333trifluoro2(((3fluorophenyl)carbonyl)amino)alaninate
InChI=1SC21H21F4N3O4Sc123219(31)20(21(2324)252717(30)1165712(22)1011)281815(16(26)29)13834914(13)3318h571028H2489H21H3(H22629)(H2730)
MFCD01872315
ZINC000002050106
ZINC000002050107

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.