Vitas-M small molecule compound
3-{[4-(4-methoxyphthalazin-1-yl)phenyl]carbonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL346129
SMILES COc1nnc(c2c1cccc2)c1ccc(cc1)C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1
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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 C27H24N4O3 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O3/c1-34-26-22-6-3-2-5-21(22)25(28-29-26)18-9-11-19(12-10-18)27(33)30-14-17-13-20(16-30)23-7-4-8-24(32)31(23)15-17/h2-12,17,20H,13-16H2,1H3InChIKey
GICPVBXFARENCF-UHFFFAOYSA-NSynonyms
(1R5S)3(4(4methoxyphthalazin1yl)benzoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
3((4(4methoxyphthalazin1yl)phenyl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)C(=O)N4CC5CC(C4)C6=CC=CC(=O)N6C5
COc1nnc(c2c1cccc2)c1ccc(cc1)C(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC27H24N4O3c1342622632521(22)25(282926)1891119(121018)27(33)3014171320(1630)2374824(32)31(23)1517h2121720H1316H21H3
MFCD02999513
ZINC000015999121
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