Vitas-M small molecule compound
(3-{5-chloro-4-[(2-methoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]dec-1-yl)acetic acid
Catalog ID
STK713227
SMILES COc1ccccc1Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2)(C3)CC(=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 C23H26ClN3O4 MW 443.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN3O4/c1-31-18-5-3-2-4-16(18)26-17-12-25-27(21(30)20(17)24)23-9-14-6-15(10-23)8-22(7-14,13-23)11-19(28)29/h2-5,12,14-15,26H,6-11,13H2,1H3,(H,28,29)InChIKey
GGCGOGQPCADZMV-UHFFFAOYSA-NSynonyms
898628-75-6(3(5chloro4((2methoxyphenyl)amino)6oxopyridazin1(6H)yl)tricyclo(3311~37~)dec1yl)aceticacid
2((1r3s5R7S)3(5chloro4((2methoxyphenyl)amino)6oxopyridazin1(6H)yl)adamantan1yl)aceticacid
2(3(5CHLORO4(2METHOXYANILINO)6OXOPYRIDAZIN1YL)1ADAMANTYL)ACETICACID
898628756
COC1=CC=CC=C1NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl
InChI=1SC23H26ClN3O4c13118532416(18)2617122527(21(30)20(17)24)23914615(1023)822(7141323)1119(28)29h2512141526H61113H21H3(H2829)
MFCD06613449
ZINC000101095221
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