Vitas-M small molecule compound
3-{5-chloro-4-[(4-fluorobenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
Catalog ID
STK578975
SMILES Fc1ccc(cc1)CNc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2)(C3)C(=O)O
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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 C22H23ClFN3O3 MW 431.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClFN3O3/c23-18-17(25-10-13-1-3-16(24)4-2-13)11-26-27(19(18)28)22-8-14-5-15(9-22)7-21(6-14,12-22)20(29)30/h1-4,11,14-15,25H,5-10,12H2,(H,29,30)InChIKey
DVLBBESTJWLSRY-UHFFFAOYSA-NSynonyms
900280-66-2(1r3r)3(5chloro4((4fluorobenzyl)amino)6oxopyridazin1(6H)yl)adamantane1carboxylicacid
3(5chloro4((4fluorobenzyl)amino)6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane1carboxylicacid
3(5CHLORO4((4FLUOROPHENYL)METHYLAMINO)6OXOPYRIDAZIN1YL)ADAMANTANE1CARBOXYLICACID
900280662
C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=C(C=C5)F)Cl)C(=O)O
InChI=1SC22H23ClFN3O3c231817(2510131316(24)4213)112627(19(18)28)22814515(922)721(6141222)20(29)30h1411141525H51012H2(H2930)
MFCD06613505
ZINC000002363493
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