Vitas-M small molecule compound
(1S)-3-{2-methoxy-5-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]benzyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL525595
SMILES COc1ccc(cc1CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)/C=C/C(=O)c1ccccc1
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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 C28H28N2O3 MW 440.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O3/c1-33-27-13-11-20(10-12-26(31)22-6-3-2-4-7-22)14-24(27)19-29-16-21-15-23(18-29)25-8-5-9-28(32)30(25)17-21/h2-14,21,23H,15-19H2,1H3/b12-10+/t21-,23-/m0/s1InChIKey
FLXGHFQBYWTLAK-NUACWBKLSA-NSynonyms
(1R5S)3(2methoxy5((E)3oxo3phenylprop1en1yl)benzyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S)3(2methoxy5((1E)3oxo3phenylprop1en1yl)benzyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1ccc(cc1CN1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C=CC(=O)c1ccccc1
InChI=1SC28H28N2O3c13327131120(101226(31)226324722)1424(27)192916211523(1829)2585928(32)30(25)1721h2142123H1519H21H3b1210+t2123m0s1
MFCD06763627
ZINC000104085040
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