Vitas-M small molecule compound

(2-methoxy-4-{(E)-[3-(4-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

Catalog ID
STL358241
SMILES COc1cc(ccc1OCC(=O)O)/C=C\1/SC(=O)N(C1=O)Cc1ccc(cc1)[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 C20H16N2O8S MW 444.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O8S/c1-29-16-8-13(4-7-15(16)30-11-18(23)24)9-17-19(25)21(20(26)31-17)10-12-2-5-14(6-3-12)22(27)28/h2-9H,10-11H2,1H3,(H,23,24)/b17-9+
InChIKey
SYGCXLMFHKMQQO-RQZCQDPDSA-N
Synonyms

(2methoxy4((E)(3(4nitrobenzyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)aceticacid
2(2methoxy4((E)(3((4nitrophenyl)methyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)aceticacid
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)(N+)(=O)(O))OCC(=O)O
COc1cc(ccc1OCC(=O)O)C=C1SC(=O)N(C1=O)Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H16N2O8Sc12916813(4715(16)301118(23)24)91719(25)21(20(26)3117)10122514(6312)22(27)28h29H1011H21H3(H2324)b179+
MFCD03905980
ZINC000009233137
ZINC9233137

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Available files

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