Vitas-M small molecule compound

ethyl 4-{[(2Z,5Z)-5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]amino}benzoate

Catalog ID
STK381037
SMILES CCOC(=O)c1ccc(cc1)/N=C/1\S/C(=c/2\sc3c(n2CC)cccc3)/C(=O)N1CCc1ccccc1

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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 C29H27N3O3S2 MW 529.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3S2/c1-3-31-23-12-8-9-13-24(23)36-27(31)25-26(33)32(19-18-20-10-6-5-7-11-20)29(37-25)30-22-16-14-21(15-17-22)28(34)35-4-2/h5-17H,3-4,18-19H2,1-2H3/b27-25-,30-29-
InChIKey
WDIQBEXYLZFTEM-JTDJMALMSA-N
Synonyms

CCOC(=O)c1ccc(cc1)N=C1SC(=c2sc3c(n2CC)cccc3)C(=O)N1CCc1ccccc1
ethyl4(((2Z5Z)5(3ethyl13benzothiazol2(3H)ylidene)4oxo3(2phenylethyl)13thiazolidin2ylidene)amino)benzoate
MFCD02188978
ZINC000100213057

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Available files

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