Vitas-M small molecule compound

(5Z)-2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-[4-(dimethylamino)benzylidene]-1,3-thiazol-4(5H)-one

Catalog ID
STK877628
SMILES O=C1N=C(S/C/1=C\c1ccc(cc1)N(C)C)N1CCc2c(C1)cccc2

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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 C21H21N3OS MW 363.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3OS/c1-23(2)18-9-7-15(8-10-18)13-19-20(25)22-21(26-19)24-12-11-16-5-3-4-6-17(16)14-24/h3-10,13H,11-12,14H2,1-2H3/b19-13-
InChIKey
ZURSKQFMQVBUGW-UYRXBGFRSA-N
Synonyms

(5Z)2(34dihydro1Hisoquinolin2yl)5((4(dimethylamino)phenyl)methylidene)13thiazol4one
(5Z)2(34DIHYDRO1HISOQUINOLIN2YL)5((4DIMETHYLAMINOPHENYL)METHYLIDENE)13THIAZOL4ONE
(5Z)2(34dihydroisoquinolin2(1H)yl)5(4(dimethylamino)benzylidene)13thiazol4(5H)one
(Z)2(34dihydroisoquinolin2(1H)yl)5(4(dimethylamino)benzylidene)thiazol4(5H)one
CN(C)C1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CCC4=CC=CC=C4C3
InChI=1SC21H21N3OSc123(2)189715(81018)131920(25)2221(2619)24121116534617(16)1424h31013H111214H212H3b1913
MFCD03690600
O=C1N=C(SC1=Cc1ccc(cc1)N(C)C)N1CCc2c(C1)cccc2
ZINC000013713601
ZINC13713601

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.