Vitas-M small molecule compound

methyl 2-[(5E)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

Catalog ID
STK155056
SMILES CCOc1cc(/C=C\2/SC(=O)N(C2=O)C(C(=O)OC)C)cc(c1O)[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 C16H16N2O8S MW 396.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O8S/c1-4-26-11-6-9(5-10(13(11)19)18(23)24)7-12-14(20)17(16(22)27-12)8(2)15(21)25-3/h5-8,19H,4H2,1-3H3/b12-7+
InChIKey
NVAWARAAFFCIHB-KPKJPENVSA-N
Synonyms

CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C=C2C(=O)N(C(=O)S2)C(C)C(=O)OC
CCOc1cc(C=C2SC(=O)N(C2=O)C(C(=O)OC)C)cc(c1O)(N+)(=O)(O)
InChI=1SC16H16N2O8Sc14261169(510(13(11)19)18(23)24)71214(20)17(16(22)2712)8(2)15(21)253h5819H4H213H3b127+
METHYL2((5E)5((3ETHOXY4HYDROXY5NITROPHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
METHYL2((5E)5(3ETHOXY4HYDROXY5NITROBENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
MFCD03719971
ZINC000036180241
ZINC000036180243

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Available files

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