Vitas-M small molecule compound

(1Z)-1-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-3-[4-(trifluoromethyl)phenyl]propan-2-one

Catalog ID
STK605194
SMILES O=C(/C=C/1\NCCc2c1cc1OCOc1c2)Cc1ccc(cc1)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 C20H16F3NO3 MW 375.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3NO3/c21-20(22,23)14-3-1-12(2-4-14)7-15(25)9-17-16-10-19-18(26-11-27-19)8-13(16)5-6-24-17/h1-4,8-10,24H,5-7,11H2/b17-9-
InChIKey
KMXUAFJGYXFXGV-MFOYZWKCSA-N
Synonyms
903854-99-9
(1Z)1(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)3(4(trifluoromethyl)phenyl)propan2one
(1Z)1(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)3(4(trifluoromethyl)phenyl)propan2one
(Z)1(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)3(4(trifluoromethyl)phenyl)propan2one
903854999
C1CNC(=CC(=O)CC2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C31)OCO4
InChI=1SC20H16F3NO3c2120(2223)143112(2414)715(25)91716101918(26112719)813(16)562417h1481024H5711H2b179
MFCD08288622
O=C(C=C1NCCc2c1cc1OCOc1c2)Cc1ccc(cc1)C(F)(F)F
ZINC000006755798
ZINC06755798
ZINC6755798

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Available files

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