Vitas-M small molecule compound

(1R,5R)-3-{2-hydroxy-3-[2-(prop-2-en-1-yl)phenoxy]propyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STL528177
SMILES C=CCc1ccccc1OCC(CN1C[C@H]2C[C@@H](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 C23H28N2O3 MW 380.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O3/c1-2-6-18-7-3-4-9-22(18)28-16-20(26)15-24-12-17-11-19(14-24)21-8-5-10-23(27)25(21)13-17/h2-5,7-10,17,19-20,26H,1,6,11-16H2/t17-,19+,20?/m0/s1
InChIKey
DVYHLTNLJQXMEO-XRRBNZLQSA-N
Synonyms

(1R5R)3(2hydroxy3(2(prop2en1yl)phenoxy)propyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1R5S)3(3(2allylphenoxy)2hydroxypropyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
C=CCc1ccccc1OCC(CN1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)O
InChI=1SC23H28N2O3c12618734922(18)281620(26)152412171119(1424)21851023(27)25(21)1317h2571017192026H161116H2t1719+20?m0s1
MFCD03852907
ZINC000002094009
ZINC000002094012

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Available files

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