Vitas-M small molecule compound
4-chloro-5-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyridazin-3(2H)-one
Catalog ID
STK828536
SMILES Clc1c(cnn(c1=O)C12CC3CC(C2)CC(C1)C3)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 C21H28ClN3O3 MW 405.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28ClN3O3/c22-18-17(24-3-1-21(2-4-24)27-5-6-28-21)13-23-25(19(18)26)20-10-14-7-15(11-20)9-16(8-14)12-20/h13-16H,1-12H2InChIKey
LRTDDWFSVUQAAP-UHFFFAOYSA-NSynonyms
898610-36-12((3s5s7s)adamantan1yl)4chloro5(14dioxa8azaspiro(45)decan8yl)pyridazin3(2H)one
2(1ADAMANTYL)4CHLORO5(14DIOXA8AZASPIRO(45)DECAN8YL)PYRIDAZIN3ONE
4chloro5(14dioxa8azaspiro(45)dec8yl)2(tricyclo(3311~37~)dec1yl)pyridazin3(2H)one
898610361
C1CN(CCC12OCCO2)C3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)C5)Cl
InChI=1SC21H28ClN3O3c221817(243121(2424)27562821)132325(19(18)26)201014715(1120)916(814)1220h1316H112H2
MFCD06611363
ZINC000005053594
ZINC05053594
ZINC5053594
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