Vitas-M small molecule compound

methyl (2E)-[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]ethanoate

Catalog ID
STK164259
SMILES COC(=O)/C=C\1/S/C(=N\c2ccccc2)/N(C1=O)Cc1ccc2c(c1)OCO2

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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 C20H16N2O5S MW 396.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O5S/c1-25-18(23)10-17-19(24)22(20(28-17)21-14-5-3-2-4-6-14)11-13-7-8-15-16(9-13)27-12-26-15/h2-10H,11-12H2,1H3/b17-10+,21-20-
InChIKey
LXUWCQKPUCAZRJ-CZZIWQEQSA-N
Synonyms

COC(=O)C=C1SC(=Nc2ccccc2)N(C1=O)Cc1ccc2c(c1)OCO2
methyl(2E)((2Z)3(13benzodioxol5ylmethyl)4oxo2(phenylimino)13thiazolidin5ylidene)ethanoate
MFCD06165843
ZINC000004699819

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Available files

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