Products 345987-16-8

CAS 345987-16-8 appears in our catalog under these names: AS601245.2TFA (345987-15-7 free base), AS601245 (TFA). Offered by: TargetMol, Chemat, MedChemExpress. Available pack sizes: 1mg, 2mg, 5mg, 10mg, 25mg, 50mg, 100mg, 500mg.

AS601245.2TFA (345987-15-7 free base)
TargetMol, Chemat
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  • Variants: 15
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AS601245 (TFA)
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

2-(1,3-benzothiazol-2-yl)-2-[2-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]acetonitrile;bis(2,2,2-trifluoroacetic acid) (CAS 345987-16-8) is a chemical compound with the molecular formula C24H18F6N6O4S and a molecular weight of 600.5 g/mol. IUPAC name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]acetonitrile;bis(2,2,2-trifluoroacetic acid). InChIKey: CIMRIDPPEONTRF-UHFFFAOYSA-N.

Identity
Molecular formulaC24H18F6N6O4S
Molecular weight600.5 g/mol
IUPAC name2-(1,3-benzothiazol-2-yl)-2-[2-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]acetonitrile;bis(2,2,2-trifluoroacetic acid)
InChIKeyCIMRIDPPEONTRF-UHFFFAOYSA-N
SMILESC1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Computed by PubChem (NCBI)

Synonyms: orb1219793, orb1685366