Vitas-M small molecule compound

1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one

Catalog ID
STK877330
SMILES O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)CCc1ccccc1

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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 C18H21F3N2O2 MW 354.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21F3N2O2/c19-18(20,21)17(25)14-9-5-2-6-10-15(14)22-23(17)16(24)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14,25H,2,5-6,9-12H2
InChIKey
TTYKGTPDJOFZML-UHFFFAOYSA-N
Synonyms

1(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2(3H)yl)3phenylpropan1one
1(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2yl)3phenylpropan1one
C1CCC2C(=NN(C2(C(F)(F)F)O)C(=O)CCC3=CC=CC=C3)CC1
InChI=1SC18H21F3N2O2c1918(2021)17(25)1495261015(14)2223(17)16(24)1211137314813h134781425H256912H2
MFCD02163766
ZINC000004163484
ZINC000004163491

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Available files

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