Vitas-M small molecule compound
2,3-dihydro-1,4-benzodioxin-6-yl[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Catalog ID
STL178114
SMILES O=C(N1N=CCC1(O)C(F)(F)F)c1ccc2c(c1)OCCO2
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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 C13H11F3N2O4 MW 316.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11F3N2O4/c14-13(15,16)12(20)3-4-17-18(12)11(19)8-1-2-9-10(7-8)22-6-5-21-9/h1-2,4,7,20H,3,5-6H2InChIKey
XHEDGIVWZNFZGV-UHFFFAOYSA-NSynonyms
832142-79-723dihydro14benzodioxin6yl(5hydroxy5(trifluoromethyl)45dihydro1Hpyrazol1yl)methanone
23dihydro14benzodioxin6yl(5hydroxy5(trifluoromethyl)4Hpyrazol1yl)methanone
832142797
C1COC2=C(O1)C=CC(=C2)C(=O)N3C(CC=N3)(C(F)(F)F)O
InChI=1SC13H11F3N2O4c1413(1516)12(20)341718(12)11(19)812910(78)2265219h124720H356H2
MFCD04058890
ZINC000006829242
ZINC000006829243
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