Vitas-M small molecule compound
ethyl 3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-2(3H)-carboxylate
Catalog ID
STK080213
SMILES CCOC(=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 C12H17F3N2O3 MW 294.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17F3N2O3/c1-2-20-10(18)17-11(19,12(13,14)15)8-6-4-3-5-7-9(8)16-17/h8,19H,2-7H2,1H3InChIKey
FOFJCOXJVDSQIE-UHFFFAOYSA-NSynonyms
CCOC(=O)N1C(C2CCCCCC2=N1)(C(F)(F)F)O
CCOC(=O)N1N=C2C(C1(O)C(F)(F)F)CCCCC2
ethyl3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazole2(3H)carboxylate
ethyl3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazole2carboxylate
ETHYL8HYDROXY8(TRIFLUOROMETHYL)910DIAZABICYCLO(530)DEC1(10)ENE9CARBOXYLATE
InChI=1SC12H17F3N2O3c122010(18)1711(1912(1314)15)8643579(8)1617h819H27H21H3
MFCD01571743
STK080213
ZINC000000052585
ZINC000000052588
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