Vitas-M small molecule compound
3-{[(2Z)-6-hydroxy-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-7-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL512064
SMILES O=C1/C(=C/c2cccnc2)/Oc2c1ccc(c2CN1CC2CC(C1)c1n(C2)c(=O)ccc1)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 C26H23N3O4 MW 441.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4/c30-22-7-6-19-25(32)23(10-16-3-2-8-27-11-16)33-26(19)20(22)15-28-12-17-9-18(14-28)21-4-1-5-24(31)29(21)13-17/h1-8,10-11,17-18,30H,9,12-15H2/b23-10-InChIKey
OPHZVWIREZHWFL-RMORIDSASA-NSynonyms
(1R5S)3(((Z)6hydroxy3oxo2(pyridin3ylmethylene)23dihydrobenzofuran7yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)onehydrochloride
11(((2~(Z))6hydroxy3oxo2(pyridin3ylmethylidene)1benzofuran7yl)methyl)711diazatricyclo(7310^(27))trideca24dien6one
3(((2Z)6hydroxy3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran7yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
45598247
InChI=1SC26H23N3O4c3022761925(32)23(1016328271116)3326(19)20(22)15281217918(1428)2141524(31)29(21)1317h181011171830H91215H2b2310
MFCD31750861
O=C1C(=Cc2cccnc2)Oc2c1ccc(c2CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)OCl
ZINC000020761186
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