Vitas-M small molecule compound
1-{5-chloro-4-[(3-methoxybenzyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid
Catalog ID
STK713219
SMILES COc1cccc(c1)CNc1cnn(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 C23H26ClN3O4 MW 443.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN3O4/c1-31-17-4-2-3-13(8-17)11-25-18-12-26-27(21(28)20(18)24)23-9-14-5-15(10-23)7-16(6-14)19(23)22(29)30/h2-4,8,12,14-16,19,25H,5-7,9-11H2,1H3,(H,29,30)InChIKey
FTODPHNOFJBRRH-UHFFFAOYSA-NSynonyms
1024436-83-6(1S2R3S5R7S)1(5chloro4((3methoxybenzyl)amino)6oxopyridazin1(6H)yl)adamantane2carboxylicacid
1(5chloro4((3methoxybenzyl)amino)6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane2carboxylicacid
1(5CHLORO4((3METHOXYPHENYL)METHYLAMINO)6OXOPYRIDAZIN1YL)ADAMANTANE2CARBOXYLICACID
1024436836
COC1=CC=CC(=C1)CNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4C(=O)O)Cl
InChI=1SC23H26ClN3O4c1311742313(817)112518122627(21(28)20(18)24)23914515(1023)716(614)19(23)22(29)30h2481214161925H57911H21H3(H2930)
MFCD06613133
ZINC000101093959
ZINC000245231543
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