Vitas-M small molecule compound
{3-[4-(benzylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid
Catalog ID
STL058024
SMILES OC(=O)CC12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)NCc1ccccc1
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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 C23H26ClN3O3 MW 427.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN3O3/c24-20-18(25-12-15-4-2-1-3-5-15)13-26-27(21(20)30)23-9-16-6-17(10-23)8-22(7-16,14-23)11-19(28)29/h1-5,13,16-17,25H,6-12,14H2,(H,28,29)InChIKey
UALNQTBBZSTOLZ-UHFFFAOYSA-NSynonyms
900256-04-4(3(4(benzylamino)5chloro6oxopyridazin1(6H)yl)tricyclo(3311~37~)dec1yl)aceticacid
2((1r3s5R7S)3(4(benzylamino)5chloro6oxopyridazin1(6H)yl)adamantan1yl)aceticacid
2(3(4(BENZYLAMINO)5CHLORO6OXOPYRIDAZIN1YL)1ADAMANTYL)ACETICACID
900256044
C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=CC=C5)Cl)CC(=O)O
InChI=1SC23H26ClN3O3c242018(2512154213515)132627(21(20)30)23916617(1023)822(7161423)1119(28)29h1513161725H61214H2(H2829)
MFCD06593214
ZINC000009242725
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