Vitas-M small molecule compound
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one
Catalog ID
STK933182
SMILES CSc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)c1ccc2c(c1)OCCCO2
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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 C22H20N2O4S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S/c1-29-17-6-3-15(4-7-17)18-8-10-22(26)24(23-18)14-19(25)16-5-9-20-21(13-16)28-12-2-11-27-20/h3-10,13H,2,11-12,14H2,1H3InChIKey
IYERRKLFDHSIBO-UHFFFAOYSA-NSynonyms
1232795-01-51232795015
2(2(34dihydro2H15benzodioxepin7yl)2oxoethyl)6(4(methylsulfanyl)phenyl)pyridazin3(2H)one
2(2(34dihydro2H15benzodioxepin7yl)2oxoethyl)6(4methylsulfanylphenyl)pyridazin3one
2(2(34dihydro2Hbenzo(b)(14)dioxepin7yl)2oxoethyl)6(4(methylthio)phenyl)pyridazin3(2H)one
CSC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)C3=CC4=C(C=C3)OCCCO4
InChI=1SC22H20N2O4Sc129176315(4717)1881022(26)24(2318)1419(25)16592021(1316)28122112720h31013H2111214H21H3
MFCD18067722
ZINC000044893571
ZINC44893571
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