Vitas-M small molecule compound

N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(3-nitro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide

Catalog ID
STK316892
SMILES O=C(C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)[N+](=O)[O-])Nc1cc(ccc1F)C(F)(F)F

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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 C20H19F4N5O3 MW 453.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F4N5O3/c21-14-2-1-13(20(22,23)24)4-15(14)26-16(30)18-5-11-3-12(6-18)8-19(7-11,9-18)28-10-25-17(27-28)29(31)32/h1-2,4,10-12H,3,5-9H2,(H,26,30)
InChIKey
WROUQNOZGQTYOX-UHFFFAOYSA-N
Synonyms
515151-39-0
515151390
C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)(N+)(=O)(O))C(=O)NC5=C(C=CC(=C5)C(F)(F)F)F
InChI=1SC20H19F4N5O3c21142113(20(2223)24)415(14)2616(30)18511312(618)819(711918)28102517(2728)29(31)32h1241012H359H2(H2630)
MFCD03758441
N(2FLUORO5(TRIFLUOROMETHYL)PHENYL)3(3NITRO124TRIAZOL1YL)ADAMANTANE1CARBOXAMIDE
N(2FLUORO5(TRIFLUOROMETHYL)PHENYL)3(3NITRO1H124TRIAZOL1YL)1ADAMANTANECARBOXAMIDE
N(2fluoro5(trifluoromethyl)phenyl)3(3nitro1H124triazol1yl)tricyclo(3311~37~)decane1carboxamide
O=C(C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)(N+)(=O)(O))Nc1cc(ccc1F)C(F)(F)F
ZINC000018172637

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Available files

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