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1 – 10 of 10 results
1

2-Ethylhexyl salicylate, Thermo Scientific™

CAS: 118-60-5 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 MDL Number: 00053300 InChI Key: FMRHJJZUHUTGKE-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-hydroxybenzoate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1O

CAS 118-60-5
Molecular Weight (g/mol) 250.34
MDL Number 00053300
SMILES CCCCC(CC)COC(=O)C1=CC=CC=C1O
IUPAC Name 2-ethylhexyl 2-hydroxybenzoate
InChI Key FMRHJJZUHUTGKE-UHFFFAOYNA-N
Molecular Formula C15H22O3
2

Cabozantinib (S)-malate, Thermo Scientific™

CAS: 1140909-48-3 Molecular Formula: C32H30FN3O10 Molecular Weight (g/mol): 635.60 MDL Number: MFCD20923480 InChI Key: HFCFMRYTXDINDK-UHFFFAOYNA-N IUPAC Name: 2-hydroxybutanedioic acid; N'1-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SMILES: OC(CC(O)=O)C(O)=O.COC1=C(OC)C=C2C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3)=CC=NC2=C1

CAS 1140909-48-3
Molecular Weight (g/mol) 635.60
MDL Number MFCD20923480
SMILES OC(CC(O)=O)C(O)=O.COC1=C(OC)C=C2C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3)=CC=NC2=C1
IUPAC Name 2-hydroxybutanedioic acid; N'1-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
InChI Key HFCFMRYTXDINDK-UHFFFAOYNA-N
Molecular Formula C32H30FN3O10
5

Etravirine, Thermo Scientific™

CAS: 269055-15-4 Molecular Formula: C20H15BrN6O Molecular Weight (g/mol): 435.29 MDL Number: MFCD09837879 InChI Key: PYGWGZALEOIKDF-UHFFFAOYSA-N Synonym: 4-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile IUPAC Name: 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile SMILES: CC1=CC(=CC(C)=C1OC1=NC(NC2=CC=C(C=C2)C#N)=NC(N)=C1Br)C#N

CAS 269055-15-4
Molecular Weight (g/mol) 435.29
MDL Number MFCD09837879
SMILES CC1=CC(=CC(C)=C1OC1=NC(NC2=CC=C(C=C2)C#N)=NC(N)=C1Br)C#N
Synonym 4-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
IUPAC Name 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
InChI Key PYGWGZALEOIKDF-UHFFFAOYSA-N
Molecular Formula C20H15BrN6O
6

Oxibendazole, Thermo Scientific™

CAS: 20559-55-1 Molecular Formula: C12H15N3O3 Molecular Weight (g/mol): 249.27 MDL Number: 00133728 InChI Key: RAOCRURYZCVHMG-UHFFFAOYSA-N IUPAC Name: methyl N-(6-propoxy-1H-1,3-benzodiazol-2-yl)carbamate SMILES: CCCOC1=CC=C2N=C(NC(=O)OC)NC2=C1

CAS 20559-55-1
Molecular Weight (g/mol) 249.27
MDL Number 00133728
SMILES CCCOC1=CC=C2N=C(NC(=O)OC)NC2=C1
IUPAC Name methyl N-(6-propoxy-1H-1,3-benzodiazol-2-yl)carbamate
InChI Key RAOCRURYZCVHMG-UHFFFAOYSA-N
Molecular Formula C12H15N3O3
7

Ketorolac tromethamine, Thermo Scientific™

CAS: 74103-07-4 Molecular Formula: C19H24N2O6 Molecular Weight (g/mol): 376.41 MDL Number: 00887595 InChI Key: BWHLPLXXIDYSNW-UHFFFAOYNA-N IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid SMILES: NC(CO)(CO)CO.OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1

CAS 74103-07-4
Molecular Weight (g/mol) 376.41
MDL Number 00887595
SMILES NC(CO)(CO)CO.OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1
IUPAC Name 2-amino-2-(hydroxymethyl)propane-1,3-diol; 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
InChI Key BWHLPLXXIDYSNW-UHFFFAOYNA-N
Molecular Formula C19H24N2O6
8

Atovaquone, Thermo Scientific™

CAS: 95233-18-4 Molecular Formula: C22H19ClO3 Molecular Weight (g/mol): 366.84 MDL Number: 00889188 InChI Key: BSJMWHQBCZFXBR-UHFFFAOYSA-N IUPAC Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-1,2-dihydronaphthalene-1,2-dione SMILES: OC1=C(C2CCC(CC2)C2=CC=C(Cl)C=C2)C(=O)C(=O)C2=CC=CC=C12

CAS 95233-18-4
Molecular Weight (g/mol) 366.84
MDL Number 00889188
SMILES OC1=C(C2CCC(CC2)C2=CC=C(Cl)C=C2)C(=O)C(=O)C2=CC=CC=C12
IUPAC Name 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-1,2-dihydronaphthalene-1,2-dione
InChI Key BSJMWHQBCZFXBR-UHFFFAOYSA-N
Molecular Formula C22H19ClO3
9

Oxfendazole, Thermo Scientific™

CAS: 53716-50-0 Molecular Formula: C15H13N3O3S Molecular Weight (g/mol): 315.35 MDL Number: 00801063 InChI Key: BEZZFPOZAYTVHN-UHFFFAOYNA-N IUPAC Name: methyl N-[6-(benzenesulfinyl)-1H-1,3-benzodiazol-2-yl]carbamate SMILES: COC(=O)NC1=NC2=CC=C(C=C2N1)S(=O)C1=CC=CC=C1

CAS 53716-50-0
Molecular Weight (g/mol) 315.35
MDL Number 00801063
SMILES COC(=O)NC1=NC2=CC=C(C=C2N1)S(=O)C1=CC=CC=C1
IUPAC Name methyl N-[6-(benzenesulfinyl)-1H-1,3-benzodiazol-2-yl]carbamate
InChI Key BEZZFPOZAYTVHN-UHFFFAOYNA-N
Molecular Formula C15H13N3O3S