Vitas-M small molecule compound
(5Z)-5-{3-bromo-4-[(4-nitrobenzyl)oxy]benzylidene}-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK178576
SMILES C#CCN1C(=O)S/C(=C\c2ccc(c(c2)Br)OCc2ccc(cc2)[N+](=O)[O-])/C1=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 C20H13BrN2O5S MW 473.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13BrN2O5S/c1-2-9-22-19(24)18(29-20(22)25)11-14-5-8-17(16(21)10-14)28-12-13-3-6-15(7-4-13)23(26)27/h1,3-8,10-11H,9,12H2/b18-11-InChIKey
XTPHQMSXDZVUIX-WQRHYEAKSA-NSynonyms
(5Z)5((3BROMO4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)3PROP2YNYL13THIAZOLIDINE24DIONE
(5Z)5(3BROMO4((4NITROBENZYL)OXY)BENZYLIDENE)3(PROP2YN1YL)13THIAZOLIDINE24DIONE
C#CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)(N+)(=O)(O))Br)SC1=O
C#CCN1C(=O)SC(=Cc2ccc(c(c2)Br)OCc2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC20H13BrN2O5Sc1292219(24)18(2920(22)25)11145817(16(21)1014)2812133615(7413)23(26)27h1381011H912H2b1811
MFCD06663889
ZINC000001143295
ZINC01143295
ZINC1143295
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