Vitas-M small molecule compound
methyl 2-({3-ethoxy-1,1,1-trifluoro-3-oxo-2-[(phenoxyacetyl)amino]propan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK761577
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)OC)CCCC2)NC(=O)COc1ccccc1
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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 C23H25F3N2O6S MW 514.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25F3N2O6S/c1-3-33-21(31)22(23(24,25)26,27-17(29)13-34-14-9-5-4-6-10-14)28-19-18(20(30)32-2)15-11-7-8-12-16(15)35-19/h4-6,9-10,28H,3,7-8,11-13H2,1-2H3,(H,27,29)InChIKey
CGGVTKIDSNFPFG-UHFFFAOYSA-NSynonyms
298683-49-5298683495
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)OC)NC(=O)COC3=CC=CC=C3
InChI=1SC23H25F3N2O6Sc133321(31)22(23(2425)262717(29)13341495461014)281918(20(30)322)1511781216(15)3519h4691028H3781113H212H3(H2729)
methyl2((3ethoxy111trifluoro3oxo2((2phenoxyacetyl)amino)propan2yl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((3ethoxy111trifluoro3oxo2((phenoxyacetyl)amino)propan2yl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((3ethoxy111trifluoro3oxo2(2phenoxyacetamido)propan2yl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01859282
ZINC000005225998
ZINC000005226002
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