Vitas-M small molecule compound
(5Z)-5-[3-iodo-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-(2-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STL378977
SMILES C#CCOc1c(I)cc(cc1OC)/C=C/1\SC(=O)N(C1=O)Cc1ccccc1[N+](=O)[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 C21H15IN2O6S MW 550.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15IN2O6S/c1-3-8-30-19-15(22)9-13(10-17(19)29-2)11-18-20(25)23(21(26)31-18)12-14-6-4-5-7-16(14)24(27)28/h1,4-7,9-11H,8,12H2,2H3/b18-11-InChIKey
UXLBGPYBXCOBJL-WQRHYEAKSA-NSynonyms
(5Z)5((3iodo5methoxy4prop2ynoxyphenyl)methylidene)3((2nitrophenyl)methyl)13thiazolidine24dione
(5Z)5(3iodo5methoxy4(prop2yn1yloxy)benzylidene)3(2nitrobenzyl)13thiazolidine24dione
C#CCOc1c(I)cc(cc1OC)C=C1SC(=O)N(C1=O)Cc1ccccc1(N+)(=O)(O)
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3(N+)(=O)(O))I)OCC#C
InChI=1SC21H15IN2O6Sc138301915(22)913(1017(19)292)111820(25)23(21(26)3118)1214645716(14)24(27)28h147911H812H22H3b1811
MFCD28951005
ZINC000105979346
ZINC105979346
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