Vitas-M small molecule compound

propyl 3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

Catalog ID
STL322389
SMILES CCCOC(=O)N1C2C=CC(C1(C(F)(F)F)C(F)(F)F)C2

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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 C12H13F6NO2 MW 317.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13F6NO2/c1-2-5-21-9(20)19-8-4-3-7(6-8)10(19,11(13,14)15)12(16,17)18/h3-4,7-8H,2,5-6H2,1H3
InChIKey
KPOVWBPVLIZDGP-UHFFFAOYSA-N
Synonyms
175689-99-3
175689993
CCCOC(=O)N1C2CC(C1(C(F)(F)F)C(F)(F)F)C=C2
InChI=1SC12H13F6NO2c125219(20)198437(68)10(1911(1314)15)12(1617)18h3478H256H21H3
MFCD01553889
PROPYL(1S4R)33BIS(TRIFLUOROMETHYL)2AZABICYCLO(221)HEPT5ENE2CARBOXYLATE
PROPYL22BIS(TRIFLUOROMETHYL)3AZABICYCLO(221)HEPT5ENE3CARBOXYLATE
propyl33bis(trifluoromethyl)2azabicyclo(221)hept5ene2carboxylate
ZINC000100675811

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Available files

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