Vitas-M small molecule compound
{4-bromo-2-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetonitrile
Catalog ID
STL364712
SMILES CN1C(=O)/C(=C\c2cc(Br)ccc2OCC#N)/SC1=S
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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 C13H9BrN2O2S2 MW 369.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9BrN2O2S2/c1-16-12(17)11(20-13(16)19)7-8-6-9(14)2-3-10(8)18-5-4-15/h2-3,6-7H,5H2,1H3/b11-7+InChIKey
NOVRYABFIRSIAT-YRNVUSSQSA-NSynonyms
(4bromo2((E)(3methyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)acetonitrile
2(4bromo2((E)(3methyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenoxy)acetonitrile
CN1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC#N)SC1=S
CN1C(=O)C(=Cc2cc(Br)ccc2OCC#N)SC1=S
InChI=1SC13H9BrN2O2S2c11612(17)11(2013(16)19)7869(14)2310(8)185415h2367H5H21H3b117+
MFCD09475935
ZINC000015009546
ZINC15009546
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