Vitas-M small molecule compound
[5-ethyl-3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-methylphenyl)methanone
Catalog ID
STK065337
SMILES CCC1CCC2=NN(C(C2C1)(O)C(F)(F)F)C(=O)c1ccc(cc1)C
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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/c1-3-12-6-9-15-14(10-12)17(25,18(19,20)21)23(22-15)16(24)13-7-4-11(2)5-8-13/h4-5,7-8,12,14,25H,3,6,9-10H2,1-2H3InChIKey
XOWZPCKHKKQHBL-UHFFFAOYSA-NSynonyms
(5ethyl3hydroxy3(trifluoromethyl)33a4567hexahydro2Hindazol2yl)(4methylphenyl)methanone
(5ethyl3hydroxy3(trifluoromethyl)4567tetrahydro3aHindazol2yl)(4methylphenyl)methanone
CCC1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)C
CCC1CCC2=NN(C(C2C1)(O)C(F)(F)F)C(=O)c1ccc(cc1)C
InChI=1SC18H21F3N2O2c1312691514(1012)17(2518(1920)21)23(2215)16(24)137411(2)5813h4578121425H36910H212H3
MFCD08051729
STK065337
ZINC000006224391
ZINC000245245965
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