Vitas-M small molecule compound
3-{[5-chloro-6-oxo-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,6-dihydropyridazin-4-yl]amino}-4-methoxybenzoic acid
Catalog ID
STK590649
SMILES COc1ccc(cc1Nc1cnn(c(=O)c1Cl)C12CC3CC(C2)CC(C1)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 C22H24ClN3O4 MW 429.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN3O4/c1-30-18-3-2-15(21(28)29)7-16(18)25-17-11-24-26(20(27)19(17)23)22-8-12-4-13(9-22)6-14(5-12)10-22/h2-3,7,11-14,25H,4-6,8-10H2,1H3,(H,28,29)InChIKey
YOEJACDHXHDMQG-UHFFFAOYSA-NSynonyms
896079-56-43((1((3s5s7s)adamantan1yl)5chloro6oxo16dihydropyridazin4yl)amino)4methoxybenzoicacid
3((1(1ADAMANTYL)5CHLORO6OXOPYRIDAZIN4YL)AMINO)4METHOXYBENZOICACID
3((5chloro6oxo1(tricyclo(3311~37~)dec1yl)16dihydropyridazin4yl)amino)4methoxybenzoicacid
896079564
COC1=C(C=C(C=C1)C(=O)O)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl
InChI=1SC22H24ClN3O4c130183215(21(28)29)716(18)2517112426(20(27)19(17)23)22812413(922)614(512)1022h237111425H46810H21H3(H2829)
MFCD06593180
ZINC000009242721
ZINC9242721
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