Vitas-M small molecule compound

N-{2,2,2-trichloro-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}formamide

Catalog ID
STL527452
SMILES O=CNC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](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 C14H16Cl3N3O2 MW 364.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16Cl3N3O2/c15-14(16,17)13(18-8-21)19-5-9-4-10(7-19)11-2-1-3-12(22)20(11)6-9/h1-3,8-10,13H,4-7H2,(H,18,21)/t9-,10+,13?/m0/s1
InChIKey
NSGJHPXAGOJXEQ-RGPRDZHESA-N
Synonyms

InChI=1SC14H16Cl3N3O2c1514(1617)13(18821)1959410(719)1121312(22)20(11)69h1381013H47H2(H1821)t910+13?m0s1
MFCD08283024
N(222trichloro1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)formamide
N(222trichloro1((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)formamide
O=CNC(C(Cl)(Cl)Cl)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ZINC000002137423
ZINC000002137424

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Available files

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