Vitas-M small molecule compound
2-amino-4,4-bis(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-4,4a,5,6,7,8-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile
Catalog ID
STK691121
SMILES N#CC1=C(N)N(c2ccc(cc2)C(F)(F)F)C2=CCCCCC2C1(C(F)(F)F)C(F)(F)F
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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 C20H16F9N3 MW 469.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F9N3/c21-18(22,23)11-6-8-12(9-7-11)32-15-5-3-1-2-4-13(15)17(19(24,25)26,20(27,28)29)14(10-30)16(32)31/h5-9,13H,1-4,31H2InChIKey
PHFACQHXQAEKEJ-UHFFFAOYSA-NSynonyms
2amino44bis(trifluoromethyl)1(4(trifluoromethyl)phenyl)44a5678hexahydro1Hcyclohepta(b)pyridine3carbonitrile
2amino44bis(trifluoromethyl)1(4(trifluoromethyl)phenyl)5678tetrahydro4aHcyclohepta(b)pyridine3carbonitrile
C1CCC2C(=CC1)N(C(=C(C2(C(F)(F)F)C(F)(F)F)C#N)N)C3=CC=C(C=C3)C(F)(F)F
InChI=1SC20H16F9N3c2118(2223)116812(9711)32155312413(15)17(19(2425)2620(2728)29)14(1030)16(32)31h5913H1431H2
MFCD09064151
ZINC000100229689
ZINC000100229692
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