Vitas-M small molecule compound
3-[(4-hydroxyphthalazin-1-yl)acetyl]-1,2,3,4,5,6-hexahydro-10H-1,5-methanopyrido[1,2-d][1,4]diazocin-10-one
Catalog ID
STL535670
SMILES O=C(N1CC2CC(C1)n1c(C2)cccc1=O)Cc1nnc(c2c1cccc2)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 C21H20N4O3 MW 376.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3/c26-19-7-3-4-14-8-13-9-15(25(14)19)12-24(11-13)20(27)10-18-16-5-1-2-6-17(16)21(28)23-22-18/h1-7,13,15H,8-12H2,(H,23,28)InChIKey
CZSMYMWORAMTMB-UHFFFAOYSA-NSynonyms
11(2(4oxo3~(H)phthalazin1yl)acetyl)211diazatricyclo(7310^(27))trideca46dien3one
3((4hydroxyphthalazin1yl)acetyl)123456hexahydro10H15methanopyrido(12d)(14)diazocin10one
45369703
InChI=1SC21H20N4O3c261973414813915(25(14)19)1224(1113)20(27)101816512617(16)21(28)232218h171315H812H2(H2328)
MFCD31754096
ZINC000100789326
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