Vitas-M small molecule compound

prop-2-yn-1-yl [(5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetate

Catalog ID
STL526615
SMILES C#CCOC(=O)CN1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

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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 C16H18N2O3 MW 286.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O3/c1-2-6-21-16(20)11-17-8-12-7-13(10-17)14-4-3-5-15(19)18(14)9-12/h1,3-5,12-13H,6-11H2/t12-,13?/m0/s1
InChIKey
GTTAIRAAAGNJCZ-UEWDXFNNSA-N
Synonyms

16397421
C#CCOC(=O)CN1C(C@@H)2CC(C1)c1n(C2)c(=O)ccc1
InChI=1SC16H18N2O3c1262116(20)1117812713(1017)1443515(19)18(14)912h1351213H611H2t1213?m0s1
MFCD03005876
prop2yn1yl((5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)acetate
prop2yn1yl2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)acetate
prop2ynyl2((9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)acetate
ZINC000049604875

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.