Vitas-M small molecule compound

(4-hydroxyphenyl)[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]methanone

Catalog ID
STK794752
SMILES Oc1ccc(cc1)C(=O)N1N=C2C(C1(O)C(F)(F)F)CCCCC2

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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 C16H17F3N2O3 MW 342.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F3N2O3/c17-16(18,19)15(24)12-4-2-1-3-5-13(12)20-21(15)14(23)10-6-8-11(22)9-7-10/h6-9,12,22,24H,1-5H2
InChIKey
DJRUUPUOTHMHQG-UHFFFAOYSA-N
Synonyms

(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2(3H)yl)(4hydroxyphenyl)methanone
(4hydroxyphenyl)(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2(3H)yl)methanone
(4hydroxyphenyl)(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2yl)methanone
C1CCC2C(=NN(C2(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)O)CC1
InChI=1SC16H17F3N2O3c1716(1819)15(24)124213513(12)2021(15)14(23)106811(22)9710h69122224H15H2
MFCD02161979
ZINC000000274637
ZINC000000274648

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Available files

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