Vitas-M small molecule compound

(2E)-N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enamide

Catalog ID
STK572111
SMILES COc1cc(/C=C/C(=O)/N=c\2/sc3c([nH]2)cccc3)ccc1OCc1ccc(cc1)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 C24H19ClN2O3S MW 450.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN2O3S/c1-29-21-14-16(8-12-20(21)30-15-17-6-10-18(25)11-7-17)9-13-23(28)27-24-26-19-4-2-3-5-22(19)31-24/h2-14H,15H2,1H3,(H,26,27,28)/b13-9+
InChIKey
HDOAQEJINUUQEF-UKTHLTGXSA-N
Synonyms
329225-96-9
(2E)N((2E)13benzothiazol2(3H)ylidene)3(4((4chlorobenzyl)oxy)3methoxyphenyl)prop2enamide
(2E)NBENZOTHIAZOL2YL3(4((4CHLOROPHENYL)METHOXY)3METHOXYPHENYL)PROP2ENAMIDE
(E)N(13BENZOTHIAZOL2YL)3(4((4CHLOROPHENYL)METHOXY)3METHOXYPHENYL)PROP2ENAMIDE
COC1=C(C=CC(=C1)C=CC(=O)NC2=NC3=CC=CC=C3S2)OCC4=CC=C(C=C4)Cl
COc1cc(C=CC(=O)N=c2sc3c((nH)2)cccc3)ccc1OCc1ccc(cc1)Cl
N(13BENZOTHIAZOL2YL)3(4((4CHLOROBENZYL)OXY)3METHOXYPHENYL)ACRYLAMIDE
Registry IDs
MFCD07201507
ZINC000009111279
ZINC09111279
ZINC9111279

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Available files

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