Vitas-M small molecule compound
1-(4-{4-[(2-chloro-5,6-difluoro-3-methylphenyl)carbonyl]piperazin-1-yl}-3-fluorophenyl)butan-1-one
Catalog ID
STK765163
SMILES CCCC(=O)c1ccc(c(c1)F)N1CCN(CC1)C(=O)c1c(Cl)c(C)cc(c1F)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 C22H22ClF3N2O2 MW 438.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClF3N2O2/c1-3-4-18(29)14-5-6-17(15(24)12-14)27-7-9-28(10-8-27)22(30)19-20(23)13(2)11-16(25)21(19)26/h5-6,11-12H,3-4,7-10H2,1-2H3InChIKey
MASSBXDHDVHICF-UHFFFAOYSA-NSynonyms
1(4(4((2chloro56difluoro3methylphenyl)carbonyl)piperazin1yl)3fluorophenyl)butan1one
1(4(4((6CHLORO23DIFLUORO5METHYLPHENYL)CARBONYL)PIPERAZINYL)3FLUOROPHENYL)BUTAN1ONE
1(4(4(2CHLORO56DIFLUORO3METHYLBENZOYL)PIPERAZIN1YL)3FLUOROPHENYL)BUTAN1ONE
CCCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C(=CC(=C3F)F)C)Cl)F
InChI=1SC22H22ClF3N2O2c13418(29)145617(15(24)1214)277928(10827)22(30)1920(23)13(2)1116(25)21(19)26h561112H34710H212H3
MFCD02214371
ZINC000000720616
ZINC00720616
ZINC720616
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