Vitas-M small molecule compound
(4-bromophenyl)[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]methanone
Catalog ID
STK794753
SMILES Brc1ccc(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 C16H16BrF3N2O2 MW 405.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrF3N2O2/c17-11-8-6-10(7-9-11)14(23)22-15(24,16(18,19)20)12-4-2-1-3-5-13(12)21-22/h6-9,12,24H,1-5H2InChIKey
YCQQYSNWXPLUGA-UHFFFAOYSA-NSynonyms
(4bromophenyl)(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2(3H)yl)methanone
(4bromophenyl)(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2yl)methanone
C1CCC2C(=NN(C2(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)Br)CC1
InChI=1SC16H16BrF3N2O2c17118610(7911)14(23)2215(2416(1819)20)124213513(12)2122h691224H15H2
MFCD01305700
ZINC000000845865
ZINC000000845868
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