Vitas-M small molecule compound

2-{2-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethyl}-7,8-dimethoxyphthalazin-1(2H)-one

Catalog ID
STL536520
SMILES COc1c(OC)ccc2c1c(=O)n(nc2)CC(=O)N1CC[C@@]2([C@H](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 C21H27N3O5 MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5/c1-28-16-7-6-14-11-22-24(20(26)18(14)19(16)29-2)13-17(25)23-10-9-21(27)8-4-3-5-15(21)12-23/h6-7,11,15,27H,3-5,8-10,12-13H2,1-2H3/t15-,21-/m0/s1
InChIKey
BSZRJQSNYQVRST-BTYIYWSLSA-N
Synonyms

2(2((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2oxoethyl)78dimethoxyphthalazin1one
2(2((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)78dimethoxyphthalazin1(2H)one
2(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)78dimethoxyphthalazin1(2H)one
52905452
COc1c(OC)ccc2c1c(=O)n(nc2)CC(=O)N1CCC2(C(C1)CCCC2)O
InChI=1SC21H27N3O5c128167614112224(20(26)18(14)19(16)292)1317(25)2310921(27)843515(21)1223h67111527H358101213H212H3t1521m0s1
ZINC000062001673
ZINC62001673

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Available files

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