Vitas-M small molecule compound

(1Z)-5-(2,4-dichlorophenoxy)-1-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)pentan-2-one

Catalog ID
STK590097
SMILES O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)CCCOc1ccc(cc1Cl)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 C23H23Cl2NO4 MW 448.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23Cl2NO4/c24-16-4-5-21(19(25)12-16)28-8-1-3-17(27)13-20-18-14-23-22(29-9-2-10-30-23)11-15(18)6-7-26-20/h4-5,11-14,26H,1-3,6-10H2/b20-13-
InChIKey
IARRSMQUTGESDU-MOSHPQCFSA-N
Synonyms
883954-59-4
(1Z)5(24dichlorophenoxy)1(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)pentan2one
(1Z)5(24dichlorophenoxy)1(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)pentan2one
(Z)5(24dichlorophenoxy)1(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)pentan2one
883954594
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)CCCOC4=C(C=C(C=C4)Cl)Cl)OC1
InChI=1SC23H23Cl2NO4c24164521(19(25)1216)2881317(27)132018142322(2992103023)1115(18)672620h45111426H13610H2b2013
MFCD07639698
O=C(C=C1NCCc2c1cc1OCCCOc1c2)CCCOc1ccc(cc1Cl)Cl
ZINC000013591284
ZINC13591284

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Available files

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