Vitas-M small molecule compound

1-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]decane-2-carboxylic acid

Catalog ID
STK575631
SMILES OC(=O)C1C2CC3CC1(CC(C2)C3)n1ncc(c(c1=O)Cl)N1CCC2(CC1)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 C22H28ClN3O5 MW 449.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28ClN3O5/c23-18-16(25-3-1-22(2-4-25)30-5-6-31-22)12-24-26(19(18)27)21-10-13-7-14(11-21)9-15(8-13)17(21)20(28)29/h12-15,17H,1-11H2,(H,28,29)
InChIKey
HYXRIRSXTMQTLI-UHFFFAOYSA-N
Synonyms
1005072-54-7
(1S2R3S5R7S)1(5chloro6oxo4(14dioxa8azaspiro(45)decan8yl)pyridazin1(6H)yl)adamantane2carboxylicacid
1(5CHLORO4(14DIOXA8AZASPIRO(45)DEC8YL)6OXO6HPYRIDAZIN1YL)ADAMANTANE2CARBOXYLICACID
1(5chloro4(14dioxa8azaspiro(45)dec8yl)6oxopyridazin1(6H)yl)tricyclo(3311~37~)decane2carboxylicacid
1(5CHLORO4(14DIOXA8AZASPIRO(45)DECAN8YL)6OXOPYRIDAZIN1YL)ADAMANTANE2CARBOXYLICACID
1005072547
C1CN(CCC12OCCO2)C3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)C5C(=O)O)Cl
InChI=1SC22H28ClN3O5c231816(253122(2425)30563122)122426(19(18)27)211013714(1121)915(813)17(21)20(28)29h121517H111H2(H2829)
MFCD06607072
ZINC000009234679
ZINC000013135627

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Available files

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