Vitas-M small molecule compound

(5E)-3-(1,3-benzodioxol-5-yl)-5-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STL379657
SMILES C#CCOc1c(Br)cc(cc1OC)/C=C\1/SC(=S)N(C1=O)c1ccc2c(c1)OCO2

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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 C21H14BrNO5S2 MW 504.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrNO5S2/c1-3-6-26-19-14(22)7-12(8-17(19)25-2)9-18-20(24)23(21(29)30-18)13-4-5-15-16(10-13)28-11-27-15/h1,4-5,7-10H,6,11H2,2H3/b18-9+
InChIKey
BXCJFFMGHUPIMM-GIJQJNRQSA-N
Synonyms

(5E)3(13benzodioxol5yl)5((3bromo5methoxy4prop2ynoxyphenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)3(13benzodioxol5yl)5(3bromo5methoxy4(prop2yn1yloxy)benzylidene)2thioxo13thiazolidin4one
C#CCOc1c(Br)cc(cc1OC)C=C1SC(=S)N(C1=O)c1ccc2c(c1)OCO2
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC4=C(C=C3)OCO4)Br)OCC#C
InChI=1SC21H14BrNO5S2c136261914(22)712(817(19)252)91820(24)23(21(29)3018)13451516(1013)28112715h145710H611H22H3b189+
MFCD04085624
ZINC000009232862
ZINC09232862
ZINC9232862

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Available files

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