Vitas-M small molecule compound
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Catalog ID
STK754839
SMILES Fc1ccc(cc1)Oc1cc(cc(c1)[N+](=O)[O-])NC(=O)C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)Cl
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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 C25H23ClFN5O4 MW 511.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClFN5O4/c26-23-28-14-31(30-23)25-11-15-5-16(12-25)10-24(9-15,13-25)22(33)29-18-6-19(32(34)35)8-21(7-18)36-20-3-1-17(27)2-4-20/h1-4,6-8,14-16H,5,9-13H2,(H,29,33)InChIKey
SQOPFQQLRVUPGT-UHFFFAOYSA-NSynonyms
329739-68-63(3CHLORO124TRIAZOL1YL)N(3(4FLUOROPHENOXY)5NITROPHENYL)ADAMANTANE1CARBOXAMIDE
3(3chloro1H124triazol1yl)N(3(4fluorophenoxy)5nitrophenyl)tricyclo(3311~37~)decane1carboxamide
329739686
C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C(=O)NC5=CC(=CC(=C5)OC6=CC=C(C=C6)F)(N+)(=O)(O)
Fc1ccc(cc1)Oc1cc(cc(c1)(N+)(=O)(O))NC(=O)C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)Cl
InChI=1SC25H23ClFN5O4c2623281431(3023)251115516(1225)1024(9151325)22(33)2918619(32(34)35)821(718)36203117(27)2420h14681416H5913H2(H2933)
MFCD01918758
ZINC000012374638
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