Products 2225834-49-9

CAS 2225834-49-9 is the registry number for MRS4458. Offered by: MedChemExpress. Available pack sizes: Get quote.

MRS4458
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Structural formula: {0} (CAS {1})

3-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid (CAS 2225834-49-9) is a chemical compound with the molecular formula C24H20F3N5O3S and a molecular weight of 515.5 g/mol. IUPAC name: 3-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid. InChIKey: VYXSDIPOJBFWHQ-UHFFFAOYSA-N.

Identity
Molecular formulaC24H20F3N5O3S
Molecular weight515.5 g/mol
IUPAC name3-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
InChIKeyVYXSDIPOJBFWHQ-UHFFFAOYSA-N
SMILESC1=CC(=CC=C1C2=CN(N=N2)C3=CC(=CC(=C3)C(=O)O)C4=CC=C(S4)C(=O)NCCCN)C(F)(F)F

Computed by PubChem (NCBI)

Synonyms: orb1987151, compound 20 [Yu et al., 2018]
Isomers (same molecular formula)
N-[3-[2-[2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-1,3-thiazol-5-yl]ethynyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide C24H20F3N5O3S
N-[3-[2-[2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]-1,3-thiazol-5-yl]ethynyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide C24H20F3N5O3S

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