Vitas-M small molecule compound
3-{[(2Z)-2-(2-chlorobenzylidene)-6-hydroxy-3-oxo-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
STL477322
SMILES O=C1/C(=C/c2ccccc2Cl)/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 C27H23ClN2O4 MW 474.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O4/c28-21-5-2-1-4-17(21)11-24-26(33)19-8-9-23(31)20(27(19)34-24)15-29-12-16-10-18(14-29)22-6-3-7-25(32)30(22)13-16/h1-9,11,16,18,31H,10,12-15H2/b24-11-InChIKey
ZLUUGTUWQJNOGK-MYKKPKGFSA-NSynonyms
(1R5S)3(((Z)2(2chlorobenzylidene)6hydroxy3oxo23dihydrobenzofuran7yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
3(((2Z)2(2chlorobenzylidene)6hydroxy3oxo23dihydro1benzofuran7yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
C1C2CN(CC1C3=CC=CC(=O)N3C2)CC4=C(C=CC5=C4OC(=CC6=CC=CC=C6Cl)C5=O)O
InChI=1SC27H23ClN2O4c2821521417(21)112426(33)198923(31)20(27(19)3424)152912161018(1429)2263725(32)30(22)1316h1911161831H101215H2b2411
MFCD31750859
O=C1C(=Cc2ccccc2Cl)Oc2c1ccc(c2CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)O
O=C1C(=Cc2ccccc2Cl)Oc2c1ccc(c2CN1CC2CC(C1)c1n(C2)c(=O)ccc1)O
ZINC000020762982
Check stock
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