Vitas-M small molecule compound
(1Z)-1-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)-3-[4-(trifluoromethyl)phenyl]propan-2-one
Catalog ID
STK607423
SMILES O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)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 C22H20F3NO3 MW 403.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3NO3/c23-22(24,25)16-4-2-14(3-5-16)10-17(27)12-19-18-13-21-20(28-8-1-9-29-21)11-15(18)6-7-26-19/h2-5,11-13,26H,1,6-10H2/b19-12-InChIKey
KZVHICBGPDNUKJ-UNOMPAQXSA-NSynonyms
903868-85-9(1Z)1(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)3(4(trifluoromethyl)phenyl)propan2one
(1Z)1(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)3(4(trifluoromethyl)phenyl)propan2one
(Z)1(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)3(4(trifluoromethyl)phenyl)propan2one
903868859
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)CC4=CC=C(C=C4)C(F)(F)F)OC1
InChI=1SC22H20F3NO3c2322(2425)164214(3516)1017(27)121918132120(288192921)1115(18)672619h25111326H1610H2b1912
MFCD08285837
O=C(C=C1NCCc2c1cc1OCCCOc1c2)Cc1ccc(cc1)C(F)(F)F
ZINC000006662647
ZINC06662647
ZINC6662647
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