Vitas-M small molecule compound
3-{5-chloro-4-[(2,4-difluorophenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
Catalog ID
STK713212
SMILES Fc1ccc(c(c1)F)Nc1cnn(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 C21H20ClF2N3O3 MW 435.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClF2N3O3/c22-17-16(26-15-2-1-13(23)4-14(15)24)9-25-27(18(17)28)21-7-11-3-12(8-21)6-20(5-11,10-21)19(29)30/h1-2,4,9,11-12,26H,3,5-8,10H2,(H,29,30)InChIKey
CIQOOSHGNFSUEA-UHFFFAOYSA-NSynonyms
900137-90-8(1r3s5R7S)3(5chloro4((24difluorophenyl)amino)6oxopyridazin1(6H)yl)adamantane1carboxylicacid
3(5chloro4((24difluorophenyl)amino)6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane1carboxylicacid
3(5CHLORO4(24DIFLUOROANILINO)6OXOPYRIDAZIN1YL)ADAMANTANE1CARBOXYLICACID
900137908
C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=C(C=C(C=C5)F)F)Cl)C(=O)O
InChI=1SC21H20ClF2N3O3c221716(26152113(23)414(15)24)92527(18(17)28)21711312(821)620(5111021)19(29)30h1249111226H35810H2(H2930)
MFCD06591404
ZINC000002434428
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