Vitas-M small molecule compound
1-{5-chloro-4-[(4-hydroxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid
Catalog ID
STK599595
SMILES Oc1ccc(cc1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2C(=O)O)C3
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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 C21H22ClN3O4 MW 415.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O4/c22-18-16(24-14-1-3-15(26)4-2-14)10-23-25(19(18)27)21-8-11-5-12(9-21)7-13(6-11)17(21)20(28)29/h1-4,10-13,17,24,26H,5-9H2,(H,28,29)InChIKey
BPJUPBJCDNMSEF-UHFFFAOYSA-NSynonyms
1024315-14-7(1S2R3S5R7S)1(5chloro4((4hydroxyphenyl)amino)6oxopyridazin1(6H)yl)adamantane2carboxylicacid
1(5chloro4((4hydroxyphenyl)amino)6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane2carboxylicacid
1(5CHLORO4(4HYDROXYANILINO)6OXOPYRIDAZIN1YL)ADAMANTANE2CARBOXYLICACID
1024315147
C1C2CC3CC1CC(C2)(C3C(=O)O)N4C(=O)C(=C(C=N4)NC5=CC=C(C=C5)O)Cl
InChI=1SC21H22ClN3O4c221816(24141315(26)4214)102325(19(18)27)21811512(921)713(611)17(21)20(28)29h141013172426H59H2(H2829)
MFCD06598076
ZINC000002213072
ZINC000004912713
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