Vitas-M small molecule compound
3-[5-chloro-4-{[4-(methoxycarbonyl)phenyl]amino}-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
Catalog ID
STL057957
SMILES COC(=O)c1ccc(cc1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2)(C3)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/c1-32-20(29)15-2-4-16(5-3-15)26-17-11-25-27(19(28)18(17)24)23-9-13-6-14(10-23)8-22(7-13,12-23)21(30)31/h2-5,11,13-14,26H,6-10,12H2,1H3,(H,30,31)InChIKey
DNKFGSHKUNQSLI-UHFFFAOYSA-NSynonyms
900138-42-3(1r3s5R7S)3(5chloro4((4(methoxycarbonyl)phenyl)amino)6oxopyridazin1(6H)yl)adamantane1carboxylicacid
3(5chloro4((4(methoxycarbonyl)phenyl)amino)6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane1carboxylicacid
3(5CHLORO4(4METHOXYCARBONYLANILINO)6OXOPYRIDAZIN1YL)ADAMANTANE1CARBOXYLICACID
900138423
COC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)O)Cl
InChI=1SC23H24ClN3O5c13220(29)152416(5315)2617112527(19(28)18(17)24)23913614(1023)822(7131223)21(30)31h2511131426H61012H21H3(H3031)
MFCD06596487
ZINC000101266792
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