Vitas-M small molecule compound
1-{4-[(5-carboxy-2-methylphenyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid
Catalog ID
STK578687
SMILES OC(=O)c1ccc(c(c1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2C(=O)O)C3)C
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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/c1-11-2-3-14(21(29)30)7-16(11)26-17-10-25-27(20(28)19(17)24)23-8-12-4-13(9-23)6-15(5-12)18(23)22(31)32/h2-3,7,10,12-13,15,18,26H,4-6,8-9H2,1H3,(H,29,30)(H,31,32)InChIKey
ZHZTVDTULIWDTL-UHFFFAOYSA-NSynonyms
1024307-68-3(1S2R3S5R7S)1(4((5carboxy2methylphenyl)amino)5chloro6oxopyridazin1(6H)yl)adamantane2carboxylicacid
1(4((5carboxy2methylphenyl)amino)5chloro6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane2carboxylicacid
1(4(5CARBOXY2METHYLANILINO)5CHLORO6OXOPYRIDAZIN1YL)ADAMANTANE2CARBOXYLICACID
1024307683
CC1=C(C=C(C=C1)C(=O)O)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4C(=O)O)Cl
InChI=1SC23H24ClN3O5c1112314(21(29)30)716(11)2617102527(20(28)19(17)24)23812413(923)615(512)18(23)22(31)32h237101213151826H4689H21H3(H2930)(H3132)
MFCD06592270
ZINC000101258506
ZINC000245313057
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