Free for buyers, contact details stay privateFree for buyers. Your contact details stay private until you accept a quote.

Sign in Join free

Murcko scaffold

Ring system with 4 rings and 27 atoms

28 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 27
Chemicals: 28
With full pages: 6

Scaffold SMILES

O=c1[nH]nc(CN2CCOC(OCc3ccccc3)C2c2ccccc2)[nH]1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold

Murcko scaffold O=c1[nH]nc(CN2CCOC(OCc3ccccc3)C2c2ccccc2)[nH]1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 28 of 28 chemicals

Fosaprepitant impurity V chemical structure, C23H22F7N4O6P, CAS 172673-19-7

Fosaprepitant impurity V

CAS 172673-19-7C₂₃H₂₂F₇N₄O₆P

5-(((2S,3S)-2-(3,5-Bis(trifluoromethyl)benzyloxy)-3-(4-fluorophenyl)morpholino)methyl)-2H-1,2,4-triazol-3(4H)-one chemical structure, C22H19F7N4O3, CAS 159706-90-8

5-(((2S,3S)-2-(3,5-Bis(trifluoromethyl)benzyloxy)-3-(4-fluorophenyl)morpholino)methyl)-2H-1,2,4-triazol-3(4H)-one

CAS 159706-90-8C₂₂H₁₉F₇N₄O₃

Aprepitant chemical structure, C23H21F7N4O3, CAS 170729-80-3

CAS 170729-80-3C₂₃H₂₁F₇N₄O₃

Fosaprepitant chemical structure, C23H22F7N4O6P, CAS 172673-20-0

CAS 172673-20-0C₂₃H₂₂F₇N₄O₆P

5-(((2S,3S)-2-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-3-phenyl-4-morpholinyl)methyl)-1,2-dihydro-3H-1,2,4-triazol-3-one chemical structure, C22H20F6N4O3, CAS 159706-39-5

5-(((2S,3S)-2-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-3-phenyl-4-morpholinyl)methyl)-1,2-dihydro-3H-1,2,4-triazol-3-one

CAS 159706-39-5C₂₂H₂₀F₆N₄O₃

5-{(2R,3S)-2-[(S)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-3-phenyl-morpholin-4-ylmethyl}-2,4-dihydro-[1,2,4]triazol-3-one chemical structure, C23H22F6N4O3, CAS 170902-79-1

5-{(2R,3S)-2-[(S)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-3-phenyl-morpholin-4-ylmethyl}-2,4-dihydro-[1,2,4]triazol-3-one

CAS 170902-79-1C₂₃H₂₂F₆N₄O₃

5-(((2S,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one chemical structure, C23H21F7N4O3, CAS 172822-28-5

5-(((2S,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one

CAS 172822-28-5C₂₃H₂₁F₇N₄O₃

Defluoro aprepitant chemical structure, C23H22F6N4O3, CAS 170729-76-7

Defluoro aprepitant

CAS 170729-76-7C₂₃H₂₂F₆N₄O₃

5-[[(2S,3R)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one chemical structure, C23H21F7N4O3, CAS 1185502-97-9

5-[[(2S,3R)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

CAS 1185502-97-9C₂₃H₂₁F₇N₄O₃

Fosaprepitant dimeglumine chemical structure, C37H56F7N6O16P, CAS 265121-04-8

Fosaprepitant dimeglumine

CAS 265121-04-8C₃₇H₅₆F₇N₆O₁₆P

Aprepitant-d4 chemical structure, C23H21F7N4O3, CAS 1133387-60-6

CAS 1133387-60-6C₂₃H₂₁F₇N₄O₃

(R,R,R)-Aprepitant chemical structure, C23H21F7N4O3, CAS 1148113-53-4

(R,R,R)-Aprepitant

CAS 1148113-53-4C₂₃H₂₁F₇N₄O₃

5-(((2R,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one chemical structure, C23H21F7N4O3, CAS 1242175-34-3

5-(((2R,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one

CAS 1242175-34-3C₂₃H₂₁F₇N₄O₃

3-((3,5-Bis(trifluoromethyl)phenethoxy)(4-fluorophenyl)(morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one chemical structure, C23H21F7N4O3, CAS 170902-81-5

3-((3,5-Bis(trifluoromethyl)phenethoxy)(4-fluorophenyl)(morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one

CAS 170902-81-5C₂₃H₂₁F₇N₄O₃

ent-Aprepitant chemical structure, C23H21F7N4O3, CAS 172822-29-6

CAS 172822-29-6C₂₃H₂₁F₇N₄O₃

5-(((2S,3S)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one chemical structure, C23H21F7N4O3, CAS 1242175-40-1

5-(((2S,3S)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one

CAS 1242175-40-1C₂₃H₂₁F₇N₄O₃

Aprepitant-13C2,d2 (major) chemical structure, C23H21F7N4O3, CAS 1217676-37-3

Aprepitant-13C2,d2 (major)

CAS 1217676-37-3C₂₃H₂₁F₇N₄O₃

Fosaprepitant impurity T chemical structure, C23H22F7N4O6P, CAS 1523569-86-9

Fosaprepitant impurity T

CAS 1523569-86-9C₂₃H₂₂F₇N₄O₆P

Aprepitant N-oxide chemical structure, C23H21F7N4O4, CAS 172673-23-3

Aprepitant N-oxide

CAS 172673-23-3C₂₃H₂₁F₇N₄O₄

5Z3LJ67Ngr chemical structure, C23H22F7N4O6P, CAS 1523569-89-2

CAS 1523569-89-2C₂₃H₂₂F₇N₄O₆P

(1'R,2R,3R)-Fosaprepitant dimeglumine chemical structure, C37H56F7N6O16P, CAS 1523569-90-5

(1'R,2R,3R)-Fosaprepitant dimeglumine

CAS 1523569-90-5C₃₇H₅₆F₇N₆O₁₆P

rac-Aprepitant-d4 chemical structure, C23H21F7N4O3, CAS 2748471-42-1

rac-Aprepitant-d4

CAS 2748471-42-1C₂₃H₂₁F₇N₄O₃

Desfluoro fosaprepitant chemical structure, C23H23F6N4O6P, CAS 2578084-26-9

Desfluoro fosaprepitant

CAS 2578084-26-9C₂₃H₂₃F₆N₄O₆P

Fosaprepitant N-oxide chemical structure, C23H22F7N4O7P, CAS 2315504-34-6

Fosaprepitant N-oxide

CAS 2315504-34-6C₂₃H₂₂F₇N₄O₇P