Vitas-M small molecule compound
2-[2-(azepan-1-yl)-2-oxoethyl]-6-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3(2H)-one
Catalog ID
STL185313
SMILES O=C1CCC(=NN1CC(=O)N1CCCCCC1)c1onc(n1)c1ccc2c(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 C21H23N5O5 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O5/c27-18-8-6-15(23-26(18)12-19(28)25-9-3-1-2-4-10-25)21-22-20(24-31-21)14-5-7-16-17(11-14)30-13-29-16/h5,7,11H,1-4,6,8-10,12-13H2InChIKey
LBZVIRAWABSKJF-UHFFFAOYSA-NSynonyms
2(2(azepan1yl)2oxoethyl)6(3(13benzodioxol5yl)124oxadiazol5yl)45dihydropyridazin3(2H)one
2(2(azepan1yl)2oxoethyl)6(3(13benzodioxol5yl)124oxadiazol5yl)45dihydropyridazin3one
C1CCCN(CC1)C(=O)CN2C(=O)CCC(=N2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5
InChI=1SC21H23N5O5c27188615(2326(18)1219(28)25931241025)212220(243121)14571617(1114)30132916h5711H1468101213H2
MFCD22387444
ZINC000072329724
ZINC72329724
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