Vitas-M small molecule compound
3-[5-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
Catalog ID
STK713214
SMILES OC(=O)C12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)Nc1ccc2c(c1)OCCO2
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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(26-15-1-2-17-18(6-15)32-4-3-31-17)11-25-27(20(19)28)23-9-13-5-14(10-23)8-22(7-13,12-23)21(29)30/h1-2,6,11,13-14,26H,3-5,7-10,12H2,(H,29,30)InChIKey
RRCXMBPBWLMHDL-UHFFFAOYSA-NSynonyms
896600-07-0(1r3s5R7S)3(5chloro4((23dihydrobenzo(b)(14)dioxin6yl)amino)6oxopyridazin1(6H)yl)adamantane1carboxylicacid
3(5chloro4(23dihydro14benzodioxin6ylamino)6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane1carboxylicacid
3(5CHLORO4(23DIHYDRO14BENZODIOXIN6YLAMINO)6OXOPYRIDAZIN1YL)ADAMANTANE1CARBOXYLICACID
896600070
C1COC2=C(O1)C=CC(=C2)NC3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)(C5)C(=O)O)Cl
InChI=1SC23H24ClN3O5c241916(2615121718(615)32433117)112527(20(19)28)23913514(1023)822(7131223)21(29)30h12611131426H3571012H2(H2930)
MFCD06593322
ZINC000002442162
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