Vitas-M small molecule compound
[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](2-methoxyphenyl)methanone
Catalog ID
STK039909
SMILES COc1ccccc1C(=O)N1N=C2C(C1(O)C(F)(F)F)CCCC2
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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/c1-24-13-9-5-2-6-10(13)14(22)21-15(23,16(17,18)19)11-7-3-4-8-12(11)20-21/h2,5-6,9,11,23H,3-4,7-8H2,1H3InChIKey
KTNYFKVEQILOGW-UHFFFAOYSA-NSynonyms
(3hydroxy3(trifluoromethyl)33a4567hexahydro2Hindazol2yl)(2methoxyphenyl)methanone
(3hydroxy3(trifluoromethyl)4567tetrahydro3aHindazol2yl)(2methoxyphenyl)methanone
COC1=CC=CC=C1C(=O)N2C(C3CCCCC3=N2)(C(F)(F)F)O
COc1ccccc1C(=O)N1N=C2C(C1(O)C(F)(F)F)CCCC2
InChI=1SC16H17F3N2O3c12413952610(13)14(22)2115(2316(1718)19)11734812(11)2021h25691123H3478H21H3
MFCD01827638
STK039909
ZINC000000352159
ZINC000000352165
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