Vitas-M small molecule compound

(4E)-2-(3-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione

Catalog ID
STK571774
SMILES O=C1/C(=C/NCCCN2CCOCC2)/c2ccccc2C(=O)N1c1cccc(c1C)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 C24H26ClN3O3 MW 439.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN3O3/c1-17-21(25)8-4-9-22(17)28-23(29)19-7-3-2-6-18(19)20(24(28)30)16-26-10-5-11-27-12-14-31-15-13-27/h2-4,6-9,16,26H,5,10-15H2,1H3/b20-16+
InChIKey
XCXVJIIAJJSCTR-CAPFRKAQSA-N
Synonyms

(4E)2(3chloro2methylphenyl)4(((3(morpholin4yl)propyl)amino)methylidene)isoquinoline13(2H4H)dione
(4E)2(3CHLORO2METHYLPHENYL)4((3MORPHOLIN4YLPROPYLAMINO)METHYLIDENE)ISOQUINOLINE13DIONE
(E)2(3chloro2methylphenyl)4(((3morpholinopropyl)amino)methylene)isoquinoline13(2H4H)dione
CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3C(=CNCCCN4CCOCC4)C2=O
InChI=1SC24H26ClN3O3c11721(25)84922(17)2823(29)19732618(19)20(24(28)30)16261051127121431151327h24691626H51015H21H3b2016+
MFCD06606998
O=C1C(=CNCCCN2CCOCC2)c2ccccc2C(=O)N1c1cccc(c1C)Cl
ZINC000020533201
ZINC20533201

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Available files

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