Vitas-M small molecule compound

ethyl 2-[(5Z)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

Catalog ID
STK157872
SMILES CCOC(=O)C(N1C(=O)S/C(=C\c2cc(OC)c(c(c2)[N+](=O)[O-])O)/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 C16H16N2O8S MW 396.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O8S/c1-4-26-15(21)8(2)17-14(20)12(27-16(17)22)7-9-5-10(18(23)24)13(19)11(6-9)25-3/h5-8,19H,4H2,1-3H3/b12-7-
InChIKey
OOAQYTXVEPRGTN-GHXNOFRVSA-N
Synonyms

CCOC(=O)C(C)N1C(=O)C(=CC2=CC(=C(C(=C2)OC)O)(N+)(=O)(O))SC1=O
CCOC(=O)C(N1C(=O)SC(=Cc2cc(OC)c(c(c2)(N+)(=O)(O))O)C1=O)C
ETHYL2((5Z)5((4HYDROXY3METHOXY5NITROPHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
ETHYL2((5Z)5(4HYDROXY3METHOXY5NITROBENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
InChI=1SC16H16N2O8Sc142615(21)8(2)1714(20)12(2716(17)22)79510(18(23)24)13(19)11(69)253h5819H4H213H3b127
MFCD05041494
ZINC000035340456
ZINC000035340460

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Available files

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