Vitas-M small molecule compound
1-{4-[(3-carboxyphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid
Catalog ID
STK571360
SMILES OC(=O)c1cccc(c1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2C(=O)O)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 C22H22ClN3O5 MW 443.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O5/c23-18-16(25-15-3-1-2-13(7-15)20(28)29)10-24-26(19(18)27)22-8-11-4-12(9-22)6-14(5-11)17(22)21(30)31/h1-3,7,10-12,14,17,25H,4-6,8-9H2,(H,28,29)(H,30,31)InChIKey
QUJOCYYXDDYAMA-UHFFFAOYSA-NSynonyms
1024331-73-4(1S2R3S5R7S)1(4((3carboxyphenyl)amino)5chloro6oxopyridazin1(6H)yl)adamantane2carboxylicacid
1(4((3carboxyphenyl)amino)5chloro6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane2carboxylicacid
1(4(3CARBOXYANILINO)5CHLORO6OXOPYRIDAZIN1YL)ADAMANTANE2CARBOXYLICACID
1024331734
C1C2CC3CC1CC(C2)(C3C(=O)O)N4C(=O)C(=C(C=N4)NC5=CC=CC(=C5)C(=O)O)Cl
InChI=1SC22H22ClN3O5c231816(251531213(715)20(28)29)102426(19(18)27)22811412(922)614(511)17(22)21(30)31h1371012141725H4689H2(H2829)(H3031)
MFCD06601945
ZINC000101274661
ZINC000230067958
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