Vitas-M small molecule compound
(2Z)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)-1-[4-(trifluoromethoxy)phenyl]ethanone
Catalog ID
STK581304
SMILES O=C(c1ccc(cc1)OC(F)(F)F)/C=C/1\NCCc2c1cc1OCCCOc1c2
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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 C21H18F3NO4 MW 405.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3NO4/c22-21(23,24)29-15-4-2-13(3-5-15)18(26)12-17-16-11-20-19(27-8-1-9-28-20)10-14(16)6-7-25-17/h2-5,10-12,25H,1,6-9H2/b17-12-InChIKey
GPSZLSHQKPPQCB-ATVHPVEESA-NSynonyms
883951-38-0(2Z)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)1(4(trifluoromethoxy)phenyl)ethanone
(2Z)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)1(4(trifluoromethoxy)phenyl)ethanone
(Z)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)1(4(trifluoromethoxy)phenyl)ethanone
883951380
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)C4=CC=C(C=C4)OC(F)(F)F)OC1
InChI=1SC21H18F3NO4c2221(2324)29154213(3515)18(26)121716112019(278192820)1014(16)672517h25101225H169H2b1712
MFCD07639943
O=C(c1ccc(cc1)OC(F)(F)F)C=C1NCCc2c1cc1OCCCOc1c2
ZINC000005428990
ZINC05428990
ZINC5428990
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