Vitas-M small molecule compound
(5E)-5-{3-bromo-5-methoxy-4-[(3-nitrobenzyl)oxy]benzylidene}-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK157635
SMILES C#CCN1C(=O)S/C(=C/c2cc(Br)c(c(c2)OC)OCc2cccc(c2)[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 C21H15BrN2O6S MW 503.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrN2O6S/c1-3-7-23-20(25)18(31-21(23)26)11-14-9-16(22)19(17(10-14)29-2)30-12-13-5-4-6-15(8-13)24(27)28/h1,4-6,8-11H,7,12H2,2H3/b18-11+InChIKey
PCIYEGCJGUAEFJ-WOJGMQOQSA-NSynonyms
(5E)5((3bromo5methoxy4((3nitrophenyl)methoxy)phenyl)methylidene)3prop2ynyl13thiazolidine24dione
(5E)5(3BROMO5METHOXY4((3NITROBENZYL)OXY)BENZYLIDENE)3(PROP2YN1YL)13THIAZOLIDINE24DIONE
C#CCN1C(=O)SC(=Cc2cc(Br)c(c(c2)OC)OCc2cccc(c2)(N+)(=O)(O))C1=O
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC#C)Br)OCC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC21H15BrN2O6Sc1372320(25)18(3121(23)26)1114916(22)19(17(1014)292)30121354615(813)24(27)28h146811H712H22H3b1811+
MFCD03728375
ZINC000009259425
ZINC09259425
ZINC9259425
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