Vitas-M small molecule compound
methyl 4-{[5-chloro-6-oxo-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,6-dihydropyridazin-4-yl]amino}benzoate
Catalog ID
STK850658
SMILES COC(=O)c1ccc(cc1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C2)CC(C1)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 C22H24ClN3O3 MW 413.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN3O3/c1-29-21(28)16-2-4-17(5-3-16)25-18-12-24-26(20(27)19(18)23)22-9-13-6-14(10-22)8-15(7-13)11-22/h2-5,12-15,25H,6-11H2,1H3InChIKey
XELMWWCBUOENIM-UHFFFAOYSA-NSynonyms
896835-94-2896835942
COC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl
InChI=1SC22H24ClN3O3c12921(28)162417(5316)2518122426(20(27)19(18)23)22913614(1022)815(713)1122h25121525H611H21H3
methyl4((1((1s3s)adamantan1yl)5chloro6oxo16dihydropyridazin4yl)amino)benzoate
METHYL4((1(1ADAMANTYL)5CHLORO6OXOPYRIDAZIN4YL)AMINO)BENZOATE
methyl4((5chloro6oxo1(tricyclo(3311~37~)dec1yl)16dihydropyridazin4yl)amino)benzoate
MFCD06600483
ZINC000004885425
ZINC04885425
ZINC4885425
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