Vitas-M small molecule compound
ethyl 2-[(5Z)-5-{2-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Catalog ID
STK157860
SMILES CCOC(=O)C(N1C(=O)S/C(=C\c2ccccc2OCc2cccc(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 C22H20N2O7S MW 456.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7S/c1-3-30-21(26)14(2)23-20(25)19(32-22(23)27)12-16-8-4-5-10-18(16)31-13-15-7-6-9-17(11-15)24(28)29/h4-12,14H,3,13H2,1-2H3/b19-12-InChIKey
PWXDQBGPQUNTPE-UNOMPAQXSA-NSynonyms
CCOC(=O)C(C)N1C(=O)C(=CC2=CC=CC=C2OCC3=CC(=CC=C3)(N+)(=O)(O))SC1=O
CCOC(=O)C(N1C(=O)SC(=Cc2ccccc2OCc2cccc(c2)(N+)(=O)(O))C1=O)C
ETHYL2((5Z)5((2((3NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
ETHYL2((5Z)5(2((3NITROBENZYL)OXY)BENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
InChI=1SC22H20N2O7Sc133021(26)14(2)2320(25)19(3222(23)27)12168451018(16)31131576917(1115)24(28)29h41214H313H212H3b1912
MFCD05041478
ZINC000001163767
ZINC000001163769
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