Vitas-M small molecule compound
1-{5-chloro-4-[(2,5-dimethoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid
Catalog ID
STK580885
SMILES COc1ccc(c(c1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2C(=O)O)C3)OC
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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/c1-31-15-3-4-18(32-2)16(8-15)26-17-11-25-27(21(28)20(17)24)23-9-12-5-13(10-23)7-14(6-12)19(23)22(29)30/h3-4,8,11-14,19,26H,5-7,9-10H2,1-2H3,(H,29,30)InChIKey
LKICVQOKNMYJIT-UHFFFAOYSA-NSynonyms
1008958-38-0(1S2R3S5R7S)1(5chloro4((25dimethoxyphenyl)amino)6oxopyridazin1(6H)yl)adamantane2carboxylicacid
1(5chloro4((25dimethoxyphenyl)amino)6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane2carboxylicacid
1(5CHLORO4(25DIMETHOXYANILINO)6OXOPYRIDAZIN1YL)ADAMANTANE2CARBOXYLICACID
1008958380
COC1=CC(=C(C=C1)OC)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4C(=O)O)Cl
InChI=1SC23H26ClN3O5c131153418(322)16(815)2617112527(21(28)20(17)24)23912513(1023)714(612)19(23)22(29)30h34811141926H57910H212H3(H2930)
MFCD06613357
ZINC000101314539
ZINC000245311009
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