Vitas-M small molecule compound
1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(4-nitrophenyl)ethanone
Catalog ID
STK059353
SMILES O=C(N1N=C2C(C1(O)C(F)(F)F)CCCC2)Cc1ccc(cc1)[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 C16H16F3N3O4 MW 371.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16F3N3O4/c17-16(18,19)15(24)12-3-1-2-4-13(12)20-21(15)14(23)9-10-5-7-11(8-6-10)22(25)26/h5-8,12,24H,1-4,9H2InChIKey
KTEOIVMFGWSIHU-UHFFFAOYSA-NSynonyms
1(3hydroxy3(trifluoromethyl)33a4567hexahydro2Hindazol2yl)2(4nitrophenyl)ethanone
1(3hydroxy3(trifluoromethyl)4567tetrahydro3aHindazol2yl)2(4nitrophenyl)ethanone
C1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=O)CC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H16F3N3O4c1716(1819)15(24)12312413(12)2021(15)14(23)9105711(8610)22(25)26h581224H149H2
MFCD02164206
O=C(N1N=C2C(C1(O)C(F)(F)F)CCCC2)Cc1ccc(cc1)(N+)(=O)(O)
STK059353
ZINC000001212396
ZINC000001212401
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