Vitas-M small molecule compound
3-{5-chloro-4-[(2,4-dimethoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
Catalog ID
STK579904
SMILES COc1cc(OC)ccc1Nc1cnn(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 C23H26ClN3O5 MW 459.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN3O5/c1-31-15-3-4-16(18(6-15)32-2)26-17-11-25-27(20(28)19(17)24)23-9-13-5-14(10-23)8-22(7-13,12-23)21(29)30/h3-4,6,11,13-14,26H,5,7-10,12H2,1-2H3,(H,29,30)InChIKey
JTQLDNBLLDAEDY-UHFFFAOYSA-NSynonyms
899395-46-1(1r3s5R7S)3(5chloro4((24dimethoxyphenyl)amino)6oxopyridazin1(6H)yl)adamantane1carboxylicacid
3(5chloro4((24dimethoxyphenyl)amino)6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane1carboxylicacid
3(5CHLORO4(24DIMETHOXYANILINO)6OXOPYRIDAZIN1YL)ADAMANTANE1CARBOXYLICACID
899395461
COC1=CC(=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)O)Cl)OC
InChI=1SC23H26ClN3O5c131153416(18(615)322)2617112527(20(28)19(17)24)23913514(1023)822(7131223)21(29)30h34611131426H571012H212H3(H2930)
MFCD06605063
ZINC000101283669
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