Vitas-M small molecule compound
methyl 2-[(5E)-5-{3-methoxy-4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Catalog ID
STK155148
SMILES COC(=O)C(N1C(=O)S/C(=C/c2ccc(c(c2)OC)OCc2cccc(c2)[N+](=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 C22H20N2O8S MW 472.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O8S/c1-13(21(26)31-3)23-20(25)19(33-22(23)27)11-14-7-8-17(18(10-14)30-2)32-12-15-5-4-6-16(9-15)24(28)29/h4-11,13H,12H2,1-3H3/b19-11+InChIKey
CJQLYIYGYIHFKA-YBFXNURJSA-NSynonyms
CC(C(=O)OC)N1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC(=CC=C3)(N+)(=O)(O))OC)SC1=O
COC(=O)C(N1C(=O)SC(=Cc2ccc(c(c2)OC)OCc2cccc(c2)(N+)(=O)(O))C1=O)C
InChI=1SC22H20N2O8Sc113(21(26)313)2320(25)19(3322(23)27)11147817(18(1014)302)32121554616(915)24(28)29h41113H12H213H3b1911+
METHYL2((5E)5((3METHOXY4((3NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
METHYL2((5E)5(3METHOXY4((3NITROBENZYL)OXY)BENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
MFCD03994680
ZINC000006731659
ZINC000006732292
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