Vitas-M small molecule compound

methyl (2-ethoxy-4-{(Z)-[3-(2-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

Catalog ID
STL357906
SMILES CCOc1cc(ccc1OCC(=O)OC)/C=C/1\SC(=O)N(C1=O)Cc1ccccc1[N+](=O)[O-]

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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 C22H20N2O8S MW 472.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O8S/c1-3-31-18-10-14(8-9-17(18)32-13-20(25)30-2)11-19-21(26)23(22(27)33-19)12-15-6-4-5-7-16(15)24(28)29/h4-11H,3,12-13H2,1-2H3/b19-11-
InChIKey
FCTUOJLVFKPFPW-ODLFYWEKSA-N
Synonyms

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3(N+)(=O)(O))OCC(=O)OC
CCOc1cc(ccc1OCC(=O)OC)C=C1SC(=O)N(C1=O)Cc1ccccc1(N+)(=O)(O)
InChI=1SC22H20N2O8Sc1331181014(8917(18)321320(25)302)111921(26)23(22(27)3319)1215645716(15)24(28)29h411H31213H212H3b1911
methyl(2ethoxy4((Z)(3(2nitrobenzyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)acetate
methyl2(2ethoxy4((Z)(3((2nitrophenyl)methyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)acetate
MFCD28033603
ZINC000033855061
ZINC33855061

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Available files

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