Vitas-M small molecule compound
(3Z)-1-(4-chloro-3-methylphenoxy)-3-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)propan-2-one
Catalog ID
STK586346
SMILES O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)COc1ccc(c(c1)C)Cl
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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 C22H22ClNO4 MW 399.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO4/c1-14-9-17(3-4-19(14)23)28-13-16(25)11-20-18-12-22-21(26-7-2-8-27-22)10-15(18)5-6-24-20/h3-4,9-12,24H,2,5-8,13H2,1H3/b20-11-InChIKey
ZNKSDHQNTRBDQZ-JAIQZWGSSA-NSynonyms
883954-97-0(3Z)1(4chloro3methylphenoxy)3(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)propan2one
(3Z)1(4chloro3methylphenoxy)3(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)propan2one
(Z)1(4chloro3methylphenoxy)3(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)propan2one
883954970
CC1=C(C=CC(=C1)OCC(=O)C=C2C3=CC4=C(C=C3CCN2)OCCCO4)Cl
InChI=1SC22H22ClNO4c114917(3419(14)23)281316(25)112018122221(267282722)1015(18)562420h3491224H25813H21H3b2011
MFCD07638094
O=C(C=C1NCCc2c1cc1OCCCOc1c2)COc1ccc(c(c1)C)Cl
ZINC000005353335
ZINC05353335
ZINC5353335
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