Vitas-M small molecule compound
{3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid
Catalog ID
STL058221
SMILES OC(=O)CC12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)Nc1ccc2c(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/c24-20-16(26-15-1-2-17-18(4-15)32-12-31-17)10-25-27(21(20)30)23-7-13-3-14(8-23)6-22(5-13,11-23)9-19(28)29/h1-2,4,10,13-14,26H,3,5-9,11-12H2,(H,28,29)InChIKey
JQRXHQDSRHDJNG-UHFFFAOYSA-NSynonyms
900609-06-5(3(4(13benzodioxol5ylamino)5chloro6oxopyridazin1(6H)yl)tricyclo(3311~37~)dec1yl)aceticacid
2((1r3s5R7S)3(4(benzo(d)(13)dioxol5ylamino)5chloro6oxopyridazin1(6H)yl)adamantan1yl)aceticacid
2(3(4(13BENZODIOXOL5YLAMINO)5CHLORO6OXOPYRIDAZIN1YL)1ADAMANTYL)ACETICACID
900609065
C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC6=C(C=C5)OCO6)Cl)CC(=O)O
InChI=1SC23H24ClN3O5c242016(2615121718(415)32123117)102527(21(20)30)23713314(823)622(5131123)919(28)29h12410131426H3591112H2(H2829)
MFCD06613912
ZINC000002364958
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