Vitas-M small molecule compound

(2Z)-2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzylidene}-3,4-dihydronaphthalen-1(2H)-one

Catalog ID
STK831684
SMILES COc1ccc(cc1CSc1nc2c(s1)cccc2)/C=C\1/CCc2c(C1=O)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 C26H21NO2S2 MW 443.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NO2S2/c1-29-23-13-10-17(14-19-12-11-18-6-2-3-7-21(18)25(19)28)15-20(23)16-30-26-27-22-8-4-5-9-24(22)31-26/h2-10,13-15H,11-12,16H2,1H3/b19-14-
InChIKey
ICKQDWXVBXZGBR-RGEXLXHISA-N
Synonyms

(2Z)2((3(13BENZOTHIAZOL2YLSULFANYLMETHYL)4METHOXYPHENYL)METHYLIDENE)34DIHYDRONAPHTHALEN1ONE
(2Z)2(3((13benzothiazol2ylsulfanyl)methyl)4methoxybenzylidene)34dihydronaphthalen1(2H)one
(E)2(3((benzo(d)thiazol2ylthio)methyl)4methoxybenzylidene)34dihydronaphthalen1(2H)one
COC1=C(C=C(C=C1)C=C2CCC3=CC=CC=C3C2=O)CSC4=NC5=CC=CC=C5S4
COc1ccc(cc1CSc1nc2c(s1)cccc2)C=C1CCc2c(C1=O)cccc2
InChI=1SC26H21NO2S2c12923131017(1419121118623721(18)25(19)28)1520(23)1630262722845924(22)3126h2101315H111216H21H3b1914
MFCD03552791
ZINC000033248401
ZINC33248401

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Available files

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