Vitas-M small molecule compound

methyl 2-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

Catalog ID
STK155106
SMILES COC(=O)C(N1C(=O)S/C(=C/c2ccc3c(c2)OCCO3)/C1=O)C

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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 C16H15NO6S MW 349.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO6S/c1-9(15(19)21-2)17-14(18)13(24-16(17)20)8-10-3-4-11-12(7-10)23-6-5-22-11/h3-4,7-9H,5-6H2,1-2H3/b13-8+
InChIKey
LFUMJVVGMWVZNV-MDWZMJQESA-N
Synonyms

CC(C(=O)OC)N1C(=O)C(=CC2=CC3=C(C=C2)OCCO3)SC1=O
COC(=O)C(N1C(=O)SC(=Cc2ccc3c(c2)OCCO3)C1=O)C
InChI=1SC16H15NO6Sc19(15(19)212)1714(18)13(2416(17)20)810341112(710)23652211h3479H56H212H3b138+
METHYL2((5E)5(23DIHYDRO14BENZODIOXIN6YLMETHYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
MFCD03722738
ZINC000004695178
ZINC000004695179

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Available files

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