Vitas-M small molecule compound

3-{4-[(1,3-benzodioxol-5-ylmethyl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid

Catalog ID
STL042968
SMILES OC(=O)C12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)NCc1ccc2c(c1)OCO2

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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/c24-19-16(25-9-13-1-2-17-18(4-13)32-12-31-17)10-26-27(20(19)28)23-7-14-3-15(8-23)6-22(5-14,11-23)21(29)30/h1-2,4,10,14-15,25H,3,5-9,11-12H2,(H,29,30)
InChIKey
AFAMMQVMYCWOBJ-UHFFFAOYSA-N
Synonyms
904210-41-9
(1r3s5R7S)3(4((benzo(d)(13)dioxol5ylmethyl)amino)5chloro6oxopyridazin1(6H)yl)adamantane1carboxylicacid
3(4((13benzodioxol5ylmethyl)amino)5chloro6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane1carboxylicacid
3(4(13BENZODIOXOL5YLMETHYLAMINO)5CHLORO6OXOPYRIDAZIN1YL)ADAMANTANE1CARBOXYLICACID
904210419
C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC6=C(C=C5)OCO6)Cl)C(=O)O
InChI=1SC23H24ClN3O5c241916(25913121718(413)32123117)102627(20(19)28)23714315(823)622(5141123)21(29)30h12410141525H3591112H2(H2930)
MFCD06601615
ZINC000002229244

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Available files

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