Vitas-M small molecule compound

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

Catalog ID
STK577779
SMILES Clc1ccc(c(c1)Cl)OC(C(=O)/C=C/1\NCCc2c1cc1OCOc1c2)C

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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 C20H17Cl2NO4 MW 406.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2NO4/c1-11(27-18-3-2-13(21)7-15(18)22)17(24)9-16-14-8-20-19(25-10-26-20)6-12(14)4-5-23-16/h2-3,6-9,11,23H,4-5,10H2,1H3/b16-9-
InChIKey
XNPLXHJDMLCGMR-SXGWCWSVSA-N
Synonyms
883952-80-5
(1Z)3(24dichlorophenoxy)1(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)butan2one
(1Z)3(24dichlorophenoxy)1(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)butan2one
(Z)3(24dichlorophenoxy)1(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)butan2one
883952805
CC(C(=O)C=C1C2=CC3=C(C=C2CCN1)OCO3)OC4=C(C=C(C=C4)Cl)Cl
Clc1ccc(c(c1)Cl)OC(C(=O)C=C1NCCc2c1cc1OCOc1c2)C
InChI=1SC20H17Cl2NO4c111(27183213(21)715(18)22)17(24)9161482019(25102620)612(14)452316h23691123H4510H21H3b169
MFCD07640107
ZINC000005429352
ZINC000005429355

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Available files

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