Vitas-M small molecule compound
methyl 2-{[3-ethoxy-1,1,1-trifluoro-3-oxo-2-({[3-(trifluoromethyl)phenyl]carbonyl}amino)propan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK676710
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)OC)CCCC2)NC(=O)c1cccc(c1)C(F)(F)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 C23H22F6N2O5S MW 552.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22F6N2O5S/c1-3-36-20(34)21(23(27,28)29,30-17(32)12-7-6-8-13(11-12)22(24,25)26)31-18-16(19(33)35-2)14-9-4-5-10-15(14)37-18/h6-8,11,31H,3-5,9-10H2,1-2H3,(H,30,32)InChIKey
VQXFUGZNJNMGEL-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)OC)NC(=O)C3=CC(=CC=C3)C(F)(F)F
InChI=1SC23H22F6N2O5Sc133620(34)21(23(2728)293017(32)1276813(1112)22(2425)26)311816(19(33)352)149451015(14)3718h681131H35910H212H3(H3032)
methyl2((3ethoxy111trifluoro3oxo2(((3(trifluoromethyl)phenyl)carbonyl)amino)propan2yl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((3ethoxy111trifluoro3oxo2((3(trifluoromethyl)benzoyl)amino)propan2yl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02647057
ZINC000100094123
ZINC000100094128
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