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}benzoic acid

Catalog ID
STK600102
SMILES OC(=O)c1cccc(c1)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 C21H22ClN3O3 MW 399.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O3/c22-18-17(24-16-3-1-2-15(7-16)20(27)28)11-23-25(19(18)26)21-8-12-4-13(9-21)6-14(5-12)10-21/h1-3,7,11-14,24H,4-6,8-10H2,(H,27,28)
InChIKey
GZVVPDIUZCJGQH-UHFFFAOYSA-N
Synonyms
896810-30-3
3((1((3s5s7s)adamantan1yl)5chloro6oxo16dihydropyridazin4yl)amino)benzoicacid
3((1(1ADAMANTYL)5CHLORO6OXOPYRIDAZIN4YL)AMINO)BENZOICACID
3((5chloro6oxo1(tricyclo(3311~37~)dec1yl)16dihydropyridazin4yl)amino)benzoicacid
896810303
C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC=CC(=C5)C(=O)O)Cl
InChI=1SC21H22ClN3O3c221817(241631215(716)20(27)28)112325(19(18)26)21812413(921)614(512)1021h137111424H46810H2(H2728)
MFCD06596076
ZINC000004909672
ZINC4909672

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Available files

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