Vitas-M small molecule compound
4-({1-[3-(carboxymethyl)tricyclo[3.3.1.1~3,7~]dec-1-yl]-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl}amino)benzoic acid
Catalog ID
STK713232
SMILES OC(=O)CC12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)Nc1ccc(cc1)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 C23H24ClN3O5 MW 457.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN3O5/c24-19-17(26-16-3-1-15(2-4-16)21(31)32)11-25-27(20(19)30)23-8-13-5-14(9-23)7-22(6-13,12-23)10-18(28)29/h1-4,11,13-14,26H,5-10,12H2,(H,28,29)(H,31,32)InChIKey
OBASUWYOBQJHAM-UHFFFAOYSA-NSynonyms
898627-48-04((1((1s3r5R7S)3(carboxymethyl)adamantan1yl)5chloro6oxo16dihydropyridazin4yl)amino)benzoicacid
4((1(3(CARBOXYMETHYL)1ADAMANTYL)5CHLORO6OXOPYRIDAZIN4YL)AMINO)BENZOICACID
4((1(3(carboxymethyl)tricyclo(3311~37~)dec1yl)5chloro6oxo16dihydropyridazin4yl)amino)benzoicacid
898627480
C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC=C(C=C5)C(=O)O)Cl)CC(=O)O
InChI=1SC23H24ClN3O5c241917(26163115(2416)21(31)32)112527(20(19)30)23813514(923)722(6131223)1018(28)29h1411131426H51012H2(H2829)(H3132)
MFCD06600506
ZINC000009347784
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