Vitas-M small molecule compound
3-{5-chloro-4-[(3-fluorophenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
Catalog ID
STL058188
SMILES Fc1cccc(c1)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 C21H21ClFN3O3 MW 417.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClFN3O3/c22-17-16(25-15-3-1-2-14(23)5-15)10-24-26(18(17)27)21-8-12-4-13(9-21)7-20(6-12,11-21)19(28)29/h1-3,5,10,12-13,25H,4,6-9,11H2,(H,28,29)InChIKey
OJQAGVYNUXGKJI-UHFFFAOYSA-NSynonyms
900256-21-5(1r3s5R7S)3(5chloro4((3fluorophenyl)amino)6oxopyridazin1(6H)yl)adamantane1carboxylicacid
3(5chloro4((3fluorophenyl)amino)6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane1carboxylicacid
3(5CHLORO4(3FLUOROANILINO)6OXOPYRIDAZIN1YL)ADAMANTANE1CARBOXYLICACID
900256215
C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC(=CC=C5)F)Cl)C(=O)O
InChI=1SC21H21ClFN3O3c221716(251531214(23)515)102426(18(17)27)21812413(921)720(6121121)19(28)29h13510121325H46911H2(H2829)
MFCD06595594
ZINC000004924227
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