Vitas-M small molecule compound

N'-[(4-fluorophenyl)carbonyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide

Catalog ID
STK587337
SMILES O=C(c1ccc(cc1)F)NNC(=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 C17H19FN2O4 MW 334.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19FN2O4/c1-15(2)16(3)8-9-17(15,24-14(16)23)13(22)20-19-12(21)10-4-6-11(18)7-5-10/h4-7H,8-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKey
HGYOKGPICDBSDO-UHFFFAOYSA-N
Synonyms
613659-06-6
(1R4S)N(4FLUOROBENZOYL)477TRIMETHYL3OXO2OXABICYCLO(221)HEPTANE1CARBOHYDRAZIDE
(1S4S)N(4fluorobenzoyl)477trimethyl3oxo2oxabicyclo(221)heptane1carbohydrazide
613659066
CC1(C2(CCC1(OC2=O)C(=O)NNC(=O)C3=CC=C(C=C3)F)C)C
InChI=1SC17H19FN2O4c115(2)16(3)8917(152414(16)23)13(22)201912(21)104611(18)7510h47H89H213H3(H1921)(H2022)
MFCD03504313
N((4fluorophenyl)carbonyl)477trimethyl3oxo2oxabicyclo(221)heptane1carbohydrazide
N((4FLUOROPHENYL)CARBONYLAMINO)(477TRIMETHYL3OXO2OXABICYCLO(221)HEPTYL)CARBOXAMIDE
N(4FLUOROBENZOYL)177TRIMETHYL2OXO3OXABICYCLO(221)HEPTANE4CARBOHYDRAZIDE
ZINC000002877774

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Available files

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