Vitas-M small molecule compound
ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-{[(2-fluorophenyl)carbonyl]amino}alaninate
Catalog ID
STK761575
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)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 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)11-7-3-5-9-13(11)22)28-18-15(16(26)29)12-8-4-6-10-14(12)33-18/h3,5,7,9,28H,2,4,6,8,10H2,1H3,(H2,26,29)(H,27,30)InChIKey
RCGJLOVWKYWIAM-UHFFFAOYSA-NSynonyms
298683-77-9298683779
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)C3=CC=CC=C3F
ethyl2((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)333trifluoro2((2fluorobenzoyl)amino)propanoate
ethyl2((3carbamoyl4567tetrahydrobenzo(b)thiophen2yl)amino)333trifluoro2(2fluorobenzamido)propanoate
ethylN(3carbamoyl4567tetrahydro1benzothiophen2yl)333trifluoro2(((2fluorophenyl)carbonyl)amino)alaninate
InChI=1SC21H21F4N3O4Sc123219(31)20(21(2324)252717(30)11735913(11)22)281815(16(26)29)128461014(12)3318h357928H246810H21H3(H22629)(H2730)
MFCD01859028
ZINC000002050095
ZINC000002050096
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