Vitas-M small molecule compound
(3-{5-chloro-4-[(3-hydroxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid
Catalog ID
STK590753
SMILES OC(=O)CC12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)Nc1cccc(c1)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 C22H24ClN3O4 MW 429.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN3O4/c23-19-17(25-15-2-1-3-16(27)5-15)11-24-26(20(19)30)22-8-13-4-14(9-22)7-21(6-13,12-22)10-18(28)29/h1-3,5,11,13-14,25,27H,4,6-10,12H2,(H,28,29)InChIKey
ICADXJDRQNPZJQ-UHFFFAOYSA-NSynonyms
899385-73-0(3(5chloro4((3hydroxyphenyl)amino)6oxopyridazin1(6H)yl)tricyclo(3311~37~)dec1yl)aceticacid
(3(5CHLORO4(3HYDROXYANILINO)6OXO1(6H)PYRIDAZINYL)1ADAMANTYL)ACETICACID
2((1r3s5R7S)3(5chloro4((3hydroxyphenyl)amino)6oxopyridazin1(6H)yl)adamantan1yl)aceticacid
2(3(5CHLORO4(3HYDROXYANILINO)6OXOPYRIDAZIN1YL)1ADAMANTYL)ACETICACID
899385730
C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC(=CC=C5)O)Cl)CC(=O)O
InChI=1SC22H24ClN3O4c231917(251521316(27)515)112426(20(19)30)22813414(922)721(6131222)1018(28)29h1351113142527H461012H2(H2829)
MFCD06609660
ZINC000002346003
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