Vitas-M small molecule compound
2-{[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]carbamoyl}cyclohexanecarboxylic acid
Catalog ID
STK419874
SMILES O=C(C1CCCCC1C(=O)O)Nc1cc(OCC(F)(F)F)cc(c1)[N+](=O)[O-]
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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 C16H17F3N2O6 MW 390.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F3N2O6/c17-16(18,19)8-27-11-6-9(5-10(7-11)21(25)26)20-14(22)12-3-1-2-4-13(12)15(23)24/h5-7,12-13H,1-4,8H2,(H,20,22)(H,23,24)InChIKey
IHKSVVIOCCZBMR-UHFFFAOYSA-NSynonyms
2((3NITRO5(222TRIFLUOROETHOXY)ANILINO)CARBONYL)CYCLOHEXANECARBOXYLICACID
2((3NITRO5(222TRIFLUOROETHOXY)PHENYL)CARBAMOYL)CYCLOHEXANE1CARBOXYLICACID
2((3nitro5(222trifluoroethoxy)phenyl)carbamoyl)cyclohexanecarboxylicacid
C1CCC(C(C1)C(=O)NC2=CC(=CC(=C2)OCC(F)(F)F)(N+)(=O)(O))C(=O)O
InChI=1SC16H17F3N2O6c1716(1819)8271169(510(711)21(25)26)2014(22)12312413(12)15(23)24h571213H148H2(H2022)(H2324)
MFCD03072419
O=C(C1CCCCC1C(=O)O)Nc1cc(OCC(F)(F)F)cc(c1)(N+)(=O)(O)
ZINC000002763728
ZINC000002763731
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