Vitas-M small molecule compound

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

Catalog ID
STK578199
SMILES O=C(/C=C/1\NCCc2c1cc1OCOc1c2)CCCOc1ccc(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(4-5-19(14)23)26-8-2-3-16(25)11-20-18-12-22-21(27-13-28-22)10-15(18)6-7-24-20/h4-5,9-12,24H,2-3,6-8,13H2,1H3/b20-11-
InChIKey
OALLBVMBRZGNRV-JAIQZWGSSA-N
Synonyms
883957-77-5
(1Z)5(4chloro3methylphenoxy)1(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)pentan2one
(1Z)5(4chloro3methylphenoxy)1(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)pentan2one
(Z)5(4chloro3methylphenoxy)1(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)pentan2one
883957775
CC1=C(C=CC(=C1)OCCCC(=O)C=C2C3=CC4=C(C=C3CCN2)OCO4)Cl
InChI=1SC22H22ClNO4c114917(4519(14)23)2682316(25)112018122221(27132822)1015(18)672420h4591224H236813H21H3b2011
MFCD07639643
O=C(C=C1NCCc2c1cc1OCOc1c2)CCCOc1ccc(c(c1)C)Cl
ZINC000005428072
ZINC05428072
ZINC5428072

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Available files

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