Vitas-M small molecule compound
2-chloro-5-fluoro-4-[4-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)piperazin-1-yl]benzonitrile
Catalog ID
STK780374
SMILES N#Cc1cc(F)c(cc1Cl)N1CCN(CC1)C(=O)C12CC3CC(C2)CC(C1)C3
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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 C22H25ClFN3O MW 401.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25ClFN3O/c23-18-9-20(19(24)8-17(18)13-25)26-1-3-27(4-2-26)21(28)22-10-14-5-15(11-22)7-16(6-14)12-22/h8-9,14-16H,1-7,10-12H2InChIKey
YBFWYDGKIAVJFV-UHFFFAOYSA-NSynonyms
2chloro5fluoro4(4(tricyclo(3311~37~)dec1ylcarbonyl)piperazin1yl)benzonitrile
4(4(ADAMANTANE1CARBONYL)PIPERAZIN1YL)2CHLORO5FLUOROBENZONITRILE
C1CN(CCN1C2=C(C=C(C(=C2)Cl)C#N)F)C(=O)C34CC5CC(C3)CC(C5)C4
InChI=1SC22H25ClFN3Oc2318920(19(24)817(18)1325)261327(4226)21(28)221014515(1122)716(614)1222h891416H171012H2
MFCD05860328
ZINC000004622464
ZINC04622464
ZINC4622464
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