Vitas-M small molecule compound
2-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(3-methoxyphenyl)pyridazin-3(2H)-one
Catalog ID
STL159232
SMILES COc1cccc(c1)c1ccc(=O)n(n1)CC(=O)N1CCC2(C(C1)CCCC2)O
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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 C22H27N3O4 MW 397.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O4/c1-29-18-7-4-5-16(13-18)19-8-9-20(26)25(23-19)15-21(27)24-12-11-22(28)10-3-2-6-17(22)14-24/h4-5,7-9,13,17,28H,2-3,6,10-12,14-15H2,1H3InChIKey
IXIJOARXSOTPCI-UHFFFAOYSA-NSynonyms
2(2((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)6(3methoxyphenyl)pyridazin3(2H)one
2(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)6(3methoxyphenyl)pyridazin3one
2(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)6(3methoxyphenyl)pyridazin3(2H)one
COC1=CC=CC(=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCC4(CCCCC4C3)O
COc1cccc(c1)c1ccc(=O)n(n1)CC(=O)N1CC(C@@)2((C@H)(C1)CCCC2)O
InChI=1SC22H27N3O4c1291874516(1318)198920(26)25(2319)1521(27)24121122(28)1032617(22)1424h4579131728H23610121415H21H3
MFCD20503429
ZINC000061722173
ZINC000071333951
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