Vitas-M small molecule compound

N-(5-bromopyridin-2-yl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide

Catalog ID
STK844985
SMILES Brc1ccc(nc1)NC(=O)C12CCC(C2(C)C)(C(=O)O1)C

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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 C15H17BrN2O3 MW 353.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17BrN2O3/c1-13(2)14(3)6-7-15(13,21-12(14)20)11(19)18-10-5-4-9(16)8-17-10/h4-5,8H,6-7H2,1-3H3,(H,17,18,19)
InChIKey
DVUMNQVDBOUZTH-UHFFFAOYSA-N
Synonyms
613658-90-5
(1R4R)N(5bromopyridin2yl)477trimethyl3oxo2oxabicyclo(221)heptane1carboxamide
(1R4S)N(5BROMOPYRIDIN2YL)477TRIMETHYL3OXO2OXABICYCLO(221)HEPTANE1CARBOXAMIDE
(1S4R)N(5BROMOPYRIDIN2YL)477TRIMETHYL3OXO2OXABICYCLO(221)HEPTANE1CARBOXAMIDE
477TRIMETHYL3OXO2OXABICYCLO(221)HEPTANE1CARBOXYLICACID(5BROMOPYRIDIN2YL)AMIDE
613658905
CC1(C2(CCC1(OC2=O)C(=O)NC3=NC=C(C=C3)Br)C)C
InChI=1SC15H17BrN2O3c113(2)14(3)6715(132112(14)20)11(19)1810549(16)81710h458H67H213H3(H171819)
MFCD03731308
N(5BROMO(2PYRIDYL))(477TRIMETHYL3OXO2OXABICYCLO(221)HEPTYL)CARBOXAMIDE
N(5BROMOPYRIDIN2YL)177TRIMETHYL2OXO3OXABICYCLO(221)HEPTANE4CARBOXAMIDE
N(5bromopyridin2yl)477trimethyl3oxo2oxabicyclo(221)heptane1carboxamide
ZINC000001448400

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Available files

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